N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(3-ethanoylphenyl)sulfonylamino]propanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(3-ethanoylphenyl)sulfonylamino]propanamide Openeye Name: 3-[(3-acetylphenyl)sulfonylamino]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(3-acetylphenyl)sulfonylamino]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[(3-acetylphenyl)sulfonylamino]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[(3-acetylphenyl)sulfonylamino]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propionamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCNS(=O)(=O)C3=CC=CC(=C3)C(=O)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCNS(=O)(=O)C3=CC=CC(=C3)C(=O)C)C

InChI

InChI=1S/C20H21N3O4S2/c1-12-9-13(2)19-17(10-12)28-20(23-19)22-18(25)7-8-21-29(26,27)16-6-4-5-15(11-16)14(3)24/h4-6,9-11,21H,7-8H2,1-3H3,(H,22,23,25)