N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)butanamide

Systemtic Name: N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfonyl)butanamide CAS Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-benzyl-N-(6-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(S3)C=C(C=C4C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4C)Cl

InChI

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