N-[(2S)-butan-2-yl]-4-(2,5-dimethylphenyl)sulfanyl-benzenesulfonamide

Systemtic Name: N-[(2S)-butan-2-yl]-4-(2,5-dimethylphenyl)sulfanyl-benzenesulfonamide Openeye Name: 4-(2,5-dimethylphenyl)sulfanyl-N-[(1S)-1-methylpropyl]benzenesulfonamide CAS Name: N-[(2S)-butan-2-yl]-4-[(2,5-dimethylphenyl)thio]benzenesulfonamide IUPAC Name: N-[(2S)-butan-2-yl]-4-(2,5-dimethylphenyl)sulfanylbenzenesulfonamide Traditional Name: 4-[(2,5-dimethylphenyl)thio]-N-[(1S)-1-methylpropyl]benzenesulfonamide Formula: C18H23NO2S2 MolecularWeight: 349.51072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)SC2=C(C=CC(=C2)C)C

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)SC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C18H23NO2S2/c1-5-15(4)19-23(20,21)17-10-8-16(9-11-17)22-18-12-13(2)6-7-14(18)3/h6-12,15,19H,5H2,1-4H3/t15-/m0/s1