1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonyl-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonyl-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[4-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[4-(4-methylpiperidino)sulfonylbenzoyl]-4-phenyl-isonipecotic acid Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H30N2O5S/c1-19-11-15-27(16-12-19)33(31,32)22-9-7-20(8-10-22)23(28)26-17-13-25(14-18-26,24(29)30)21-5-3-2-4-6-21/h2-10,19H,11-18H2,1H3,(H,29,30)