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

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonyl-butanamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonyl-butanamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonylbutanamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonylbutanamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonyl-butyramide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C20H22N2O4S2/c1-13-6-11-17-19(14(13)2)22-20(27-17)21-18(23)5-4-12-28(24,25)16-9-7-15(26-3)8-10-16/h6-11H,4-5,12H2,1-3H3,(H,21,22,23)