3-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]carbonylamino]propanoate

Systemtic Name: 3-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]carbonylamino]propanoate Openeye Name: 3-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidine-3-carbonyl]amino]propanoate CAS Name: 3-[[[(3S)-1-(4-acetamidophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]propanoate IUPAC Name: 3-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidine-3-carbonyl]amino]propanoate Traditional Name: 3-[[(3S)-1-(4-acetamidophenyl)sulfonylnipecotoyl]amino]propionate Formula: C17H22N3O6S- MolecularWeight: 396.43808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCCC(=O)[O-]

InChI

InChI=1S/C17H23N3O6S/c1-12(21)19-14-4-6-15(7-5-14)27(25,26)20-10-2-3-13(11-20)17(24)18-9-8-16(22)23/h4-7,13H,2-3,8-11H2,1H3,(H,18,24)(H,19,21)(H,22,23)/p-1/t13-/m0/s1