2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]butanedioic acid Openeye Name: 2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]butanedioic acid CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]butanedioic acid Traditional Name: 2-[(1-tosylprolyl)amino]succinic acid Formula: C16H20N2O7S MolecularWeight: 384.4042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H20N2O7S/c1-10-4-6-11(7-5-10)26(24,25)18-8-2-3-13(18)15(21)17-12(16(22)23)9-14(19)20/h4-7,12-13H,2-3,8-9H2,1H3,(H,17,21)(H,19,20)(H,22,23)