(3S)-N-(2-methylsulfanylphenyl)-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2-methylsulfanylphenyl)-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(2-methylsulfanylphenyl)-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: (3S)-N-[2-(methylthio)phenyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2-methylsulfanylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(5-methyl-2-thienyl)sulfonyl]-N-[2-(methylthio)phenyl]nipecotamide Formula: C18H22N2O3S3 MolecularWeight: 410.57388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C18H22N2O3S3/c1-13-9-10-17(25-13)26(22,23)20-11-5-6-14(12-20)18(21)19-15-7-3-4-8-16(15)24-2/h3-4,7-10,14H,5-6,11-12H2,1-2H3,(H,19,21)/t14-/m0/s1