N-[(3R,4S)-4-(4-chlorophenyl)sulfanylhexan-3-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(3R,4S)-4-(4-chlorophenyl)sulfanylhexan-3-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1R,2S)-2-(4-chlorophenyl)sulfanyl-1-ethyl-butyl]-4-methyl-benzenesulfonamide CAS Name: N-[(3R,4S)-4-[(4-chlorophenyl)thio]hexan-3-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(3R,4S)-4-(4-chlorophenyl)sulfanylhexan-3-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1R,2S)-2-[(4-chlorophenyl)thio]-1-ethyl-butyl]-4-methyl-benzenesulfonamide Formula: C19H24ClNO2S2 MolecularWeight: 397.98236

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC)SC1=CC=C(C=C1)Cl)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC[C@H]([C@H](CC)SC1=CC=C(C=C1)Cl)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H24ClNO2S2/c1-4-18(19(5-2)24-16-10-8-15(20)9-11-16)21-25(22,23)17-12-6-14(3)7-13-17/h6-13,18-19,21H,4-5H2,1-3H3/t18-,19+/m1/s1