(3S)-1-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-[1-(4-acetamidophenyl)sulfonylpiperidine-4-carbonyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[[1-(4-acetamidophenyl)sulfonyl-4-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[1-(4-acetamidophenyl)sulfonylpiperidine-4-carbonyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[1-(4-acetamidophenyl)sulfonylisonipecotoyl]nipecotic acid Formula: C20H27N3O6S MolecularWeight: 437.50988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC[C@@H](C3)C(=O)O

InChI

InChI=1S/C20H27N3O6S/c1-14(24)21-17-4-6-18(7-5-17)30(28,29)23-11-8-15(9-12-23)19(25)22-10-2-3-16(13-22)20(26)27/h4-7,15-16H,2-3,8-13H2,1H3,(H,21,24)(H,26,27)/t16-/m0/s1