methyl 5-[(4-methoxyphenyl)methylcarbamoyl]-1-methylsulfonyl-2-(3-nitrophenyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl 5-[(4-methoxyphenyl)methylcarbamoyl]-1-methylsulfonyl-2-(3-nitrophenyl)pyrrolidine-3-carboxylate Openeye Name: methyl 5-[(4-methoxyphenyl)methylcarbamoyl]-1-methylsulfonyl-2-(3-nitrophenyl)pyrrolidine-3-carboxylate CAS Name: 5-[[(4-methoxyphenyl)methylamino]-oxomethyl]-1-methylsulfonyl-2-(3-nitrophenyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-methoxyphenyl)methylcarbamoyl]-1-methylsulfonyl-2-(3-nitrophenyl)pyrrolidine-3-carboxylate Traditional Name: 1-mesyl-2-(3-nitrophenyl)-5-(p-anisylcarbamoyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C22H25N3O8S MolecularWeight: 491.5142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2CC(C(N2S(=O)(=O)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2CC(C(N2S(=O)(=O)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H25N3O8S/c1-32-17-9-7-14(8-10-17)13-23-21(26)19-12-18(22(27)33-2)20(24(19)34(3,30)31)15-5-4-6-16(11-15)25(28)29/h4-11,18-20H,12-13H2,1-3H3,(H,23,26)