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

Systemtic Name: 1-(4-methylsulfanylphenyl)sulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide Openeye Name: N-[(1S)-1-methylbutyl]-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-[4-(methylthio)phenyl]sulfonyl-N-[(2S)-pentan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylsulfanylphenyl)sulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1S)-1-methylbutyl]-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C18H28N2O3S2 MolecularWeight: 384.55652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3S2/c1-4-5-14(2)19-18(21)15-10-12-20(13-11-15)25(22,23)17-8-6-16(24-3)7-9-17/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,19,21)/t14-/m0/s1