N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-butanamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfonyl)butanamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-tosyl-butyramide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=NC3=C(C=CC(=C3S2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=NC3=C(C=CC(=C3S2)C)C

InChI

InChI=1S/C20H22N2O3S2/c1-13-6-10-16(11-7-13)27(24,25)12-4-5-17(23)21-20-22-18-14(2)8-9-15(3)19(18)26-20/h6-11H,4-5,12H2,1-3H3,(H,21,22,23)