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

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: 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)sulfonylbutanamide IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-tosyl-butyramide Formula: C19H19ClN2O3S2 MolecularWeight: 422.94876

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O3S2/c1-12-5-8-14(9-6-12)27(24,25)11-3-4-16(23)21-19-22-17-13(2)7-10-15(20)18(17)26-19/h5-10H,3-4,11H2,1-2H3,(H,21,22,23)