2-[(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-(4-piperidinoanilino)ethyl]thio]benzoic acid Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H24N2O3S/c1-15(27-19-8-4-3-7-18(19)21(25)26)20(24)22-16-9-11-17(12-10-16)23-13-5-2-6-14-23/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,22,24)(H,25,26)/t15-/m0/s1