4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-methylphenyl)butane-1-sulfonamide

Systemtic Name: 4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-methylphenyl)butane-1-sulfonamide Openeye Name: 4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(o-tolyl)butane-1-sulfonamide CAS Name: 4-[(5-methyl-1,3-benzothiazol-2-yl)thio]-N-(2-methylphenyl)-1-butanesulfonamide IUPAC Name: 4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-methylphenyl)butane-1-sulfonamide Traditional Name: 4-[(5-methyl-1,3-benzothiazol-2-yl)thio]-N-(o-tolyl)butane-1-sulfonamide Formula: C19H22N2O2S3 MolecularWeight: 406.58518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)SCCCCS(=O)(=O)NC3=CC=CC=C3C

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)SCCCCS(=O)(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C19H22N2O2S3/c1-14-9-10-18-17(13-14)20-19(25-18)24-11-5-6-12-26(22,23)21-16-8-4-3-7-15(16)2/h3-4,7-10,13,21H,5-6,11-12H2,1-2H3