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

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfonyl)butanamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-tosyl-butyramide Formula: C26H25ClN2O3S2 MolecularWeight: 513.0713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(C=CC(=C4S3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(C=CC(=C4S3)Cl)C

InChI

InChI=1S/C26H25ClN2O3S2/c1-18-10-13-21(14-11-18)34(31,32)16-6-9-23(30)29(17-20-7-4-3-5-8-20)26-28-24-19(2)12-15-22(27)25(24)33-26/h3-5,7-8,10-15H,6,9,16-17H2,1-2H3