N-[(1R)-1-[3-ethenyl-1-(4-methylphenyl)sulfonyl-indol-4-yl]-3-methyl-3-oxidanyl-butyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(1R)-1-[3-ethenyl-1-(4-methylphenyl)sulfonyl-indol-4-yl]-3-methyl-3-oxidanyl-butyl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R)-3-hydroxy-3-methyl-1-[1-(p-tolylsulfonyl)-3-vinyl-indol-4-yl]butyl]-2-nitro-benzenesulfonamide CAS Name: N-[(1R)-1-[3-ethenyl-1-(4-methylphenyl)sulfonyl-4-indolyl]-3-hydroxy-3-methylbutyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(1R)-1-[3-ethenyl-1-(4-methylphenyl)sulfonylindol-4-yl]-3-hydroxy-3-methylbutyl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R)-3-hydroxy-3-methyl-1-(1-tosyl-3-vinyl-indol-4-yl)butyl]-2-nitro-benzenesulfonamide Formula: C28H29N3O7S2 MolecularWeight: 583.67576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CC=C32)C(CC(C)(C)O)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CC=C32)[C@@H](CC(C)(C)O)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C=C

InChI

InChI=1S/C28H29N3O7S2/c1-5-20-18-30(40(37,38)21-15-13-19(2)14-16-21)25-11-8-9-22(27(20)25)23(17-28(3,4)32)29-39(35,36)26-12-7-6-10-24(26)31(33)34/h5-16,18,23,29,32H,1,17H2,2-4H3/t23-/m1/s1