4-[(4-benzamidophenyl)sulfanylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

Systemtic Name: 4-[(4-benzamidophenyl)sulfanylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Openeye Name: 4-[(4-benzamidophenyl)sulfanylmethyl]-1-tert-butoxycarbonyl-piperidine-4-carboxylic acid CAS Name: 4-[[(4-benzamidophenyl)thio]methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[(4-benzamidophenyl)sulfanylmethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Traditional Name: 4-[[(4-benzamidophenyl)thio]methyl]-1-tert-butoxycarbonyl-isonipecotic acid Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CSC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CSC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H30N2O5S/c1-24(2,3)32-23(31)27-15-13-25(14-16-27,22(29)30)17-33-20-11-9-19(10-12-20)26-21(28)18-7-5-4-6-8-18/h4-12H,13-17H2,1-3H3,(H,26,28)(H,29,30)