dimethyl (Z)-2-(1-methylpyrrol-2-yl)-3-[1-(phenylsulfonyl)indol-2-yl]but-2-enedioate

Systemtic Name: dimethyl (Z)-2-(1-methylpyrrol-2-yl)-3-[1-(phenylsulfonyl)indol-2-yl]but-2-enedioate Openeye Name: dimethyl (Z)-2-[1-(benzenesulfonyl)indol-2-yl]-3-(1-methylpyrrol-2-yl)but-2-enedioate CAS Name: (Z)-2-[1-(benzenesulfonyl)-2-indolyl]-3-(1-methyl-2-pyrrolyl)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-[1-(benzenesulfonyl)indol-2-yl]-3-(1-methylpyrrol-2-yl)but-2-enedioate Traditional Name: (Z)-2-(1-besylindol-2-yl)-3-(1-methylpyrrol-2-yl)but-2-enedioic acid dimethyl ester Formula: C25H22N2O6S MolecularWeight: 478.51698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=C(C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1C=CC=C1/C(=C(\C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)/C(=O)OC)/C(=O)OC

InChI

InChI=1S/C25H22N2O6S/c1-26-15-9-14-20(26)22(24(28)32-2)23(25(29)33-3)21-16-17-10-7-8-13-19(17)27(21)34(30,31)18-11-5-4-6-12-18/h4-16H,1-3H3/b23-22-