4-[(4-methoxyphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[(4-methoxyphenyl)sulfonylamino]piperidine-4-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[(4-methoxyphenyl)sulfonylamino]isonipecotic acid Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H26N2O7S/c1-17(2,3)27-16(23)20-11-9-18(10-12-20,15(21)22)19-28(24,25)14-7-5-13(26-4)6-8-14/h5-8,19H,9-12H2,1-4H3,(H,21,22)