N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-besyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butyramide Formula: C24H22ClN3O3S2 MolecularWeight: 500.03278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H22ClN3O3S2/c1-17-12-13-20(25)23-22(17)27-24(32-23)28(16-18-8-5-6-14-26-18)21(29)11-7-15-33(30,31)19-9-3-2-4-10-19/h2-6,8-10,12-14H,7,11,15-16H2,1H3