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

Systemtic Name: 4-[(4-but-2-ynoxyphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[(4-but-2-ynoxyphenyl)sulfonylamino]piperidine-4-carboxylic acid CAS Name: 4-[(4-but-2-ynoxyphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[(4-but-2-ynoxyphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[(4-but-2-ynoxyphenyl)sulfonylamino]isonipecotic acid Formula: C21H28N2O7S MolecularWeight: 452.52122

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C21H28N2O7S/c1-5-6-15-29-16-7-9-17(10-8-16)31(27,28)22-21(18(24)25)11-13-23(14-12-21)19(26)30-20(2,3)4/h7-10,22H,11-15H2,1-4H3,(H,24,25)