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

Systemtic Name: 4-[[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[2-oxo-2-[4-(phenylcarbamoyl)-1-piperidyl]ethyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[2-[4-[anilino(oxo)methyl]-1-piperidinyl]-2-oxoethyl]thio]methyl]benzoic acid IUPAC Name: 4-[[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[2-keto-2-[4-(phenylcarbamoyl)piperidino]ethyl]thio]methyl]benzoic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)CSCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)CSCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H24N2O4S/c25-20(15-29-14-16-6-8-18(9-7-16)22(27)28)24-12-10-17(11-13-24)21(26)23-19-4-2-1-3-5-19/h1-9,17H,10-15H2,(H,23,26)(H,27,28)