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

Systemtic Name: 4-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]carbonylamino]butanoic acid Openeye Name: 4-[[1-(4-acetamidophenyl)sulfonylpiperidine-4-carbonyl]amino]butanoic acid CAS Name: 4-[[[1-(4-acetamidophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[1-(4-acetamidophenyl)sulfonylpiperidine-4-carbonyl]amino]butanoic acid Traditional Name: 4-[[1-(4-acetamidophenyl)sulfonylisonipecotoyl]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)N2CCC(CC2)C(=O)NCCCC(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCC(=O)O

InChI

InChI=1S/C18H25N3O6S/c1-13(22)20-15-4-6-16(7-5-15)28(26,27)21-11-8-14(9-12-21)18(25)19-10-2-3-17(23)24/h4-7,14H,2-3,8-12H2,1H3,(H,19,25)(H,20,22)(H,23,24)