N-[(E)-2-[(3S)-3-[(3aR,8bR)-8b-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-5-yl]-2-oxidanylidene-1-(phenylmethyl)indol-3-yl]ethenyl]-N,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[(E)-2-[(3S)-3-[(3aR,8bR)-8b-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-5-yl]-2-oxidanylidene-1-(phenylmethyl)indol-3-yl]ethenyl]-N,4-dimethyl-benzenesulfonamide Openeye Name: N-[(E)-2-[(3S)-3-[(3aR,8bR)-8b-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-5-yl]-1-benzyl-2-oxo-indolin-3-yl]vinyl]-N,4-dimethyl-benzenesulfonamide CAS Name: N-[(E)-2-[(3S)-3-[(3aR,8bR)-8b-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-5-yl]-2-oxo-1-(phenylmethyl)-3-indolyl]ethenyl]-N,4-dimethylbenzenesulfonamide IUPAC Name: N-[(E)-2-[(3S)-3-[(3aR,8bR)-8b-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-5-yl]-1-benzyl-2-oxoindol-3-yl]ethenyl]-N,4-dimethylbenzenesulfonamide Traditional Name: N-[(E)-2-[(3S)-3-[(3aR,8bR)-8b-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrol[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrol[2,3-b]indol-5-yl]-1-benzyl-2-keto-indolin-3-yl]vinyl]-N,4-dimethyl-benzenesulfonamide Formula: C47H48N6O3S MolecularWeight: 776.98742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C=CC2(C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4)C5=C6C(=CC=C5)C7(CCN(C7N6)C)C89CCN(C8NC1=CC=CC=C91)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)/C=C/[C@@]2(C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4)C5=C6C(=CC=C5)[C@]7(CCN([C@H]7N6)C)[C@@]89CCN([C@@H]8NC1=CC=CC=C91)C

InChI

InChI=1S/C47H48N6O3S/c1-32-21-23-34(24-22-32)57(55,56)52(4)30-25-45(36-16-9-11-20-40(36)53(44(45)54)31-33-13-6-5-7-14-33)37-17-12-18-38-41(37)49-43-47(38,27-29-51(43)3)46-26-28-50(2)42(46)48-39-19-10-8-15-35(39)46/h5-25,30,42-43,48-49H,26-29,31H2,1-4H3/b30-25+/t42-,43+,45+,46+,47-/m0/s1