(3S)-N-[2-(4-chlorophenyl)sulfanylphenyl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[2-(4-chlorophenyl)sulfanylphenyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(4-chlorophenyl)sulfanylphenyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[2-[(4-chlorophenyl)thio]phenyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(4-chlorophenyl)sulfanylphenyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[2-[(4-chlorophenyl)thio]phenyl]-1-mesyl-nipecotamide Formula: C19H21ClN2O3S2 MolecularWeight: 424.96464

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)C(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN2O3S2/c1-27(24,25)22-12-4-5-14(13-22)19(23)21-17-6-2-3-7-18(17)26-16-10-8-15(20)9-11-16/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,21,23)/t14-/m0/s1