N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonylamino)propanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonylamino)propanamide Openeye Name: 3-(benzenesulfonamido)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(benzenesulfonamido)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(benzenesulfonamido)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(benzenesulfonamido)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propionamide Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S2/c1-12-10-13(2)17-15(11-12)25-18(21-17)20-16(22)8-9-19-26(23,24)14-6-4-3-5-7-14/h3-7,10-11,19H,8-9H2,1-2H3,(H,20,21,22)