4-[[1-(diphenylmethyl)-5-nitro-indol-3-yl]methyl]-N-(2-methylphenyl)sulfonyl-benzamide

Systemtic Name: 4-[[1-(diphenylmethyl)-5-nitro-indol-3-yl]methyl]-N-(2-methylphenyl)sulfonyl-benzamide Openeye Name: 4-[(1-benzhydryl-5-nitro-indol-3-yl)methyl]-N-(o-tolylsulfonyl)benzamide CAS Name: 4-[[1-(diphenylmethyl)-5-nitro-3-indolyl]methyl]-N-(2-methylphenyl)sulfonylbenzamide IUPAC Name: 4-[(1-benzhydryl-5-nitroindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide Traditional Name: 4-[(1-benzhydryl-5-nitro-indol-3-yl)methyl]-N-(o-tolylsulfonyl)benzamide Formula: C36H29N3O5S MolecularWeight: 615.69756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC=C(C=C2)CC3=CN(C4=C3C=C(C=C4)[N+](=O)[O-])C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC=C(C=C2)CC3=CN(C4=C3C=C(C=C4)[N+](=O)[O-])C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H29N3O5S/c1-25-10-8-9-15-34(25)45(43,44)37-36(40)29-18-16-26(17-19-29)22-30-24-38(33-21-20-31(39(41)42)23-32(30)33)35(27-11-4-2-5-12-27)28-13-6-3-7-14-28/h2-21,23-24,35H,22H2,1H3,(H,37,40)