N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-besyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)butyramide Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C19H20N2O3S2/c1-13-10-11-16-18(14(13)2)21-19(25-16)20-17(22)9-6-12-26(23,24)15-7-4-3-5-8-15/h3-5,7-8,10-11H,6,9,12H2,1-2H3,(H,20,21,22)