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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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