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

Systemtic Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propionamide Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC)C

InChI

InChI=1S/C19H21N3O4S2/c1-12-4-6-15(10-13(12)2)28(24,25)20-9-8-18(23)22-19-21-16-7-5-14(26-3)11-17(16)27-19/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22,23)