3-[2-(methoxymethyl)pyrrolidin-1-yl]carbonyl-5-[methyl(phenylsulfonyl)amino]benzoic acid

Systemtic Name: 3-[2-(methoxymethyl)pyrrolidin-1-yl]carbonyl-5-[methyl(phenylsulfonyl)amino]benzoic acid Openeye Name: 3-[benzenesulfonyl(methyl)amino]-5-[2-(methoxymethyl)pyrrolidine-1-carbonyl]benzoic acid CAS Name: 3-[benzenesulfonyl(methyl)amino]-5-[[2-(methoxymethyl)-1-pyrrolidinyl]-oxomethyl]benzoic acid IUPAC Name: 3-[benzenesulfonyl(methyl)amino]-5-[2-(methoxymethyl)pyrrolidine-1-carbonyl]benzoic acid Traditional Name: 3-[besyl(methyl)amino]-5-[2-(methoxymethyl)pyrrolidine-1-carbonyl]benzoic acid Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=CC(=C1)C(=O)O)C(=O)N2CCCC2COC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C1=CC(=CC(=C1)C(=O)O)C(=O)N2CCCC2COC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O6S/c1-22(30(27,28)19-8-4-3-5-9-19)18-12-15(11-16(13-18)21(25)26)20(24)23-10-6-7-17(23)14-29-2/h3-5,8-9,11-13,17H,6-7,10,14H2,1-2H3,(H,25,26)