(3S)-N-(4-methylsulfanylphenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-methylsulfanylphenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-methylsulfanylphenyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[4-(methylthio)phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-methylsulfanylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[4-(methylthio)phenyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C17H20N2O3S3 MolecularWeight: 396.5473

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H20N2O3S3/c1-23-15-8-6-14(7-9-15)18-17(20)13-4-2-10-19(12-13)25(21,22)16-5-3-11-24-16/h3,5-9,11,13H,2,4,10,12H2,1H3,(H,18,20)/t13-/m0/s1