6-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]carbonylamino]hexanoate

Systemtic Name: 6-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]carbonylamino]hexanoate Openeye Name: 6-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidine-3-carbonyl]amino]hexanoate CAS Name: 6-[[[(3S)-1-(4-acetamidophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]hexanoate IUPAC Name: 6-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidine-3-carbonyl]amino]hexanoate Traditional Name: 6-[[(3S)-1-(4-acetamidophenyl)sulfonylnipecotoyl]amino]hexanoate Formula: C20H28N3O6S- MolecularWeight: 438.51782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O6S/c1-15(24)22-17-8-10-18(11-9-17)30(28,29)23-13-5-6-16(14-23)20(27)21-12-4-2-3-7-19(25)26/h8-11,16H,2-7,12-14H2,1H3,(H,21,27)(H,22,24)(H,25,26)/p-1/t16-/m0/s1