N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propanamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propanamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propanamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide Traditional Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonyl-propionamide Formula: C19H20N2O4S2 MolecularWeight: 404.5031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C19H20N2O4S2/c1-12-10-13(2)18-16(11-12)20-19(26-18)21-17(22)8-9-27(23,24)15-6-4-14(25-3)5-7-15/h4-7,10-11H,8-9H2,1-3H3,(H,20,21,22)