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

Systemtic Name: N-[(1R)-1-[3-bromanyl-1-(4-methylphenyl)sulfonyl-indol-4-yl]-3-methyl-3-oxidanyl-butyl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R)-1-[3-bromo-1-(p-tolylsulfonyl)indol-4-yl]-3-hydroxy-3-methyl-butyl]-2-nitro-benzenesulfonamide CAS Name: N-[(1R)-1-[3-bromo-1-(4-methylphenyl)sulfonyl-4-indolyl]-3-hydroxy-3-methylbutyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(1R)-1-[3-bromo-1-(4-methylphenyl)sulfonylindol-4-yl]-3-hydroxy-3-methylbutyl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R)-1-(3-bromo-1-tosyl-indol-4-yl)-3-hydroxy-3-methyl-butyl]-2-nitro-benzenesulfonamide Formula: C26H26BrN3O7S2 MolecularWeight: 636.53454

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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-])Br

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-])Br

InChI

InChI=1S/C26H26BrN3O7S2/c1-17-11-13-18(14-12-17)39(36,37)29-16-20(27)25-19(7-6-9-23(25)29)21(15-26(2,3)31)28-38(34,35)24-10-5-4-8-22(24)30(32)33/h4-14,16,21,28,31H,15H2,1-3H3/t21-/m1/s1