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

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfonyl)-N-(2-pyridylmethyl)butanamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-4-tosyl-butyramide Formula: C25H24ClN3O3S2 MolecularWeight: 514.05936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=CC(=C4S3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=CC(=C4S3)Cl)C

InChI

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