2-[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-oxo-2-[4-(phenylcarbamoyl)-1-piperidyl]ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[4-[anilino(oxo)methyl]-1-piperidinyl]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-[4-(phenylcarbamoyl)piperidino]ethyl]thio]benzoic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H22N2O4S/c24-19(14-28-18-9-5-4-8-17(18)21(26)27)23-12-10-15(11-13-23)20(25)22-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,22,25)(H,26,27)