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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfonyl)butanamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-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=NC3=C(C=CC=C3S2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=NC3=C(C=CC=C3S2)C

InChI

InChI=1S/C19H20N2O3S2/c1-13-8-10-15(11-9-13)26(23,24)12-4-7-17(22)20-19-21-18-14(2)5-3-6-16(18)25-19/h3,5-6,8-11H,4,7,12H2,1-2H3,(H,20,21,22)