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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(p-tolylsulfonyl)butanamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-tosyl-butyramide Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=CC3=C(C=C2)N=C(S3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=CC3=C(C=C2)N=C(S3)C

InChI

InChI=1S/C19H20N2O3S2/c1-13-5-8-16(9-6-13)26(23,24)11-3-4-19(22)21-15-7-10-17-18(12-15)25-14(2)20-17/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)