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

Systemtic Name: 4-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]carbonylamino]butanoic acid Openeye Name: 4-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidine-3-carbonyl]amino]butanoic acid CAS Name: 4-[[[(3S)-1-(4-acetamidophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidine-3-carbonyl]amino]butanoic acid Traditional Name: 4-[[(3S)-1-(4-acetamidophenyl)sulfonylnipecotoyl]amino]butyric acid Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O6S/c1-13(22)20-15-6-8-16(9-7-15)28(26,27)21-11-3-4-14(12-21)18(25)19-10-2-5-17(23)24/h6-9,14H,2-5,10-12H2,1H3,(H,19,25)(H,20,22)(H,23,24)/t14-/m0/s1