4-(4-chlorophenyl)sulfonyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfonyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-(4-chlorophenyl)sulfonyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butanamide CAS Name: 4-(4-chlorophenyl)sulfonyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-(4-chlorophenyl)sulfonyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-(4-chlorophenyl)sulfonyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butyramide Formula: C25H24ClN3O3S2 MolecularWeight: 514.05936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H24ClN3O3S2/c1-17-14-22-23(15-18(17)2)33-25(28-22)29(16-20-6-3-4-12-27-20)24(30)7-5-13-34(31,32)21-10-8-19(26)9-11-21/h3-4,6,8-12,14-15H,5,7,13,16H2,1-2H3