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

Systemtic Name: N-[(2S)-butan-2-yl]-4-methylsulfanyl-3-morpholin-4-ylcarbonyl-benzenesulfonamide Openeye Name: N-[(1S)-1-methylpropyl]-4-methylsulfanyl-3-(morpholine-4-carbonyl)benzenesulfonamide CAS Name: N-[(2S)-butan-2-yl]-4-(methylthio)-3-[4-morpholinyl(oxo)methyl]benzenesulfonamide IUPAC Name: N-[(2S)-butan-2-yl]-4-methylsulfanyl-3-(morpholine-4-carbonyl)benzenesulfonamide Traditional Name: N-[(1S)-1-methylpropyl]-4-(methylthio)-3-(morpholine-4-carbonyl)benzenesulfonamide Formula: C16H24N2O4S2 MolecularWeight: 372.50276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC)C(=O)N2CCOCC2

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC(=C(C=C1)SC)C(=O)N2CCOCC2

InChI

InChI=1S/C16H24N2O4S2/c1-4-12(2)17-24(20,21)13-5-6-15(23-3)14(11-13)16(19)18-7-9-22-10-8-18/h5-6,11-12,17H,4,7-10H2,1-3H3/t12-/m0/s1