N-[(2S)-butan-2-yl]-4-methylsulfanyl-3-piperidin-1-ylcarbonyl-benzenesulfonamide

Systemtic Name: N-[(2S)-butan-2-yl]-4-methylsulfanyl-3-piperidin-1-ylcarbonyl-benzenesulfonamide Openeye Name: N-[(1S)-1-methylpropyl]-4-methylsulfanyl-3-(piperidine-1-carbonyl)benzenesulfonamide CAS Name: N-[(2S)-butan-2-yl]-4-(methylthio)-3-[oxo(1-piperidinyl)methyl]benzenesulfonamide IUPAC Name: N-[(2S)-butan-2-yl]-4-methylsulfanyl-3-(piperidine-1-carbonyl)benzenesulfonamide Traditional Name: N-[(1S)-1-methylpropyl]-4-(methylthio)-3-(piperidine-1-carbonyl)benzenesulfonamide Formula: C17H26N2O3S2 MolecularWeight: 370.52994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC)C(=O)N2CCCCC2

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC(=C(C=C1)SC)C(=O)N2CCCCC2

InChI

InChI=1S/C17H26N2O3S2/c1-4-13(2)18-24(21,22)14-8-9-16(23-3)15(12-14)17(20)19-10-6-5-7-11-19/h8-9,12-13,18H,4-7,10-11H2,1-3H3/t13-/m0/s1