N-[(2S)-butan-2-yl]-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-methylpropyl]-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-butan-2-yl]-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-methylpropyl]-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C17H26N2O3S2 MolecularWeight: 370.52994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC[C@H](C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C17H26N2O3S2/c1-4-13(2)18-17(20)14-9-11-19(12-10-14)24(21,22)16-7-5-15(23-3)6-8-16/h5-8,13-14H,4,9-12H2,1-3H3,(H,18,20)/t13-/m0/s1