N-[4-bromanyl-3-methyl-1-(phenylcarbonyl)-7-phenylmethoxy-indol-5-yl]-N-[(E)-4-phenylsulfanylbut-2-enyl]benzenesulfonamide

Systemtic Name: N-[4-bromanyl-3-methyl-1-(phenylcarbonyl)-7-phenylmethoxy-indol-5-yl]-N-[(E)-4-phenylsulfanylbut-2-enyl]benzenesulfonamide Openeye Name: N-(1-benzoyl-7-benzyloxy-4-bromo-3-methyl-indol-5-yl)-N-[(E)-4-phenylsulfanylbut-2-enyl]benzenesulfonamide CAS Name: N-(1-benzoyl-4-bromo-3-methyl-7-phenylmethoxy-5-indolyl)-N-[(E)-4-(phenylthio)but-2-enyl]benzenesulfonamide IUPAC Name: N-(1-benzoyl-4-bromo-3-methyl-7-phenylmethoxyindol-5-yl)-N-[(E)-4-phenylsulfanylbut-2-enyl]benzenesulfonamide Traditional Name: N-(7-benzoxy-1-benzoyl-4-bromo-3-methyl-indol-5-yl)-N-[(E)-4-(phenylthio)but-2-enyl]benzenesulfonamide Formula: C39H33BrN2O4S2 MolecularWeight: 737.72432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C(C=C(C(=C12)Br)N(CC=CCSC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)C(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CN(C2=C(C=C(C(=C12)Br)N(C/C=C/CSC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C39H33BrN2O4S2/c1-29-27-41(39(43)31-18-8-3-9-19-31)38-35(46-28-30-16-6-2-7-17-30)26-34(37(40)36(29)38)42(48(44,45)33-22-12-5-13-23-33)24-14-15-25-47-32-20-10-4-11-21-32/h2-23,26-27H,24-25,28H2,1H3/b15-14+