methyl 2-[[1-(4-methylphenyl)sulfonylindol-3-yl]-oxidanyl-methyl]-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl 2-[[1-(4-methylphenyl)sulfonylindol-3-yl]-oxidanyl-methyl]-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-2-carboxylate Openeye Name: methyl 1-benzyl-2-[hydroxy-[1-(p-tolylsulfonyl)indol-3-yl]methyl]-5-oxo-pyrrolidine-2-carboxylate CAS Name: 2-[hydroxy-[1-(4-methylphenyl)sulfonyl-3-indolyl]methyl]-5-oxo-1-(phenylmethyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-2-[hydroxy-[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-5-oxopyrrolidine-2-carboxylate Traditional Name: 1-benzyl-2-[hydroxy-(1-tosylindol-3-yl)methyl]-5-keto-pyrrolidine-2-carboxylic acid methyl ester Formula: C29H28N2O6S MolecularWeight: 532.60742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(C4(CCC(=O)N4CC5=CC=CC=C5)C(=O)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(C4(CCC(=O)N4CC5=CC=CC=C5)C(=O)OC)O

InChI

InChI=1S/C29H28N2O6S/c1-20-12-14-22(15-13-20)38(35,36)31-19-24(23-10-6-7-11-25(23)31)27(33)29(28(34)37-2)17-16-26(32)30(29)18-21-8-4-3-5-9-21/h3-15,19,27,33H,16-18H2,1-2H3