[2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-1-(phenylsulfonyl)indol-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-1-(phenylsulfonyl)indol-5-yl] 4-methylbenzenesulfonate Openeye Name: [1-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-indol-5-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-5-indolyl] ester IUPAC Name: [1-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methylindol-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-besyl-2-(3,4-dimethoxyphenyl)-6-methoxy-3-methyl-indol-5-yl] ester Formula: C31H29NO8S2 MolecularWeight: 607.69386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C(=C2)C(=C(N3S(=O)(=O)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C(=C2)C(=C(N3S(=O)(=O)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC)C)OC

InChI

InChI=1S/C31H29NO8S2/c1-20-11-14-24(15-12-20)42(35,36)40-30-18-25-21(2)31(22-13-16-27(37-3)28(17-22)38-4)32(26(25)19-29(30)39-5)41(33,34)23-9-7-6-8-10-23/h6-19H,1-5H3