N,N-dimethyl-3-[2-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethoxy]benzotriazole-5-sulfonamide

Systemtic Name: N,N-dimethyl-3-[2-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethoxy]benzotriazole-5-sulfonamide Openeye Name: N,N-dimethyl-3-[2-[(3S)-5-(2-naphthyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxo-ethoxy]benzotriazole-5-sulfonamide CAS Name: N,N-dimethyl-3-[2-[(3S)-5-(2-naphthalenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethoxy]-5-benzotriazolesulfonamide IUPAC Name: N,N-dimethyl-3-[2-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethoxy]benzotriazole-5-sulfonamide Traditional Name: 3-[2-keto-2-[(5S)-3-(2-naphthyl)-5-phenyl-3-pyrazolin-1-yl]ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide Formula: C29H26N6O4S MolecularWeight: 554.61954

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)N3C(C=C(N3)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)N3[C@@H](C=C(N3)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6

InChI

InChI=1S/C29H26N6O4S/c1-33(2)40(37,38)24-14-15-25-28(17-24)35(32-30-25)39-19-29(36)34-27(21-9-4-3-5-10-21)18-26(31-34)23-13-12-20-8-6-7-11-22(20)16-23/h3-18,27,31H,19H2,1-2H3/t27-/m0/s1