4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-methylphenyl)butane-1-sulfonamide

Systemtic Name: 4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-methylphenyl)butane-1-sulfonamide Openeye Name: 4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(m-tolyl)butane-1-sulfonamide CAS Name: 4-[(6-methoxy-1,3-benzothiazol-2-yl)thio]-N-(3-methylphenyl)-1-butanesulfonamide IUPAC Name: 4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-methylphenyl)butane-1-sulfonamide Traditional Name: 4-[(6-methoxy-1,3-benzothiazol-2-yl)thio]-N-(m-tolyl)butane-1-sulfonamide Formula: C19H22N2O3S3 MolecularWeight: 422.58458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)CCCCSC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)CCCCSC2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C19H22N2O3S3/c1-14-6-5-7-15(12-14)21-27(22,23)11-4-3-10-25-19-20-17-9-8-16(24-2)13-18(17)26-19/h5-9,12-13,21H,3-4,10-11H2,1-2H3