1-[(3,4-dimethoxyphenyl)methyl]-7-[(4-methylphenyl)sulfonylmethyl]-6-nitro-indole

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-7-[(4-methylphenyl)sulfonylmethyl]-6-nitro-indole Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6-nitro-7-(p-tolylsulfonylmethyl)indole CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-7-[(4-methylphenyl)sulfonylmethyl]-6-nitroindole IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-7-[(4-methylphenyl)sulfonylmethyl]-6-nitroindole Traditional Name: 6-nitro-7-(tosylmethyl)-1-veratryl-indole Formula: C25H24N2O6S MolecularWeight: 480.53286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC3=C2N(C=C3)CC4=CC(=C(C=C4)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC3=C2N(C=C3)CC4=CC(=C(C=C4)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H24N2O6S/c1-17-4-8-20(9-5-17)34(30,31)16-21-22(27(28)29)10-7-19-12-13-26(25(19)21)15-18-6-11-23(32-2)24(14-18)33-3/h4-14H,15-16H2,1-3H3