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

Systemtic Name: 4-methylsulfanyl-3-morpholin-4-ylcarbonyl-N-[(2S)-pentan-2-yl]benzenesulfonamide Openeye Name: N-[(1S)-1-methylbutyl]-4-methylsulfanyl-3-(morpholine-4-carbonyl)benzenesulfonamide CAS Name: 4-(methylthio)-3-[4-morpholinyl(oxo)methyl]-N-[(2S)-pentan-2-yl]benzenesulfonamide IUPAC Name: 4-methylsulfanyl-3-(morpholine-4-carbonyl)-N-[(2S)-pentan-2-yl]benzenesulfonamide Traditional Name: N-[(1S)-1-methylbutyl]-4-(methylthio)-3-(morpholine-4-carbonyl)benzenesulfonamide Formula: C17H26N2O4S2 MolecularWeight: 386.52934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O4S2/c1-4-5-13(2)18-25(21,22)14-6-7-16(24-3)15(12-14)17(20)19-8-10-23-11-9-19/h6-7,12-13,18H,4-5,8-11H2,1-3H3/t13-/m0/s1