N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-butanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfonyl)butanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-tosyl-butyramide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=NC3=C(S2)C=C(C(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=NC3=C(S2)C=C(C(=C3)C)C

InChI

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