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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-7-yl)-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-(4-chloro-1,3-benzothiazol-7-yl)-4-(p-tolylsulfonyl)butanamide CAS Name: N-(4-chloro-1,3-benzothiazol-7-yl)-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-7-yl)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-(4-chloro-1,3-benzothiazol-7-yl)-4-tosyl-butyramide Formula: C18H17ClN2O3S2 MolecularWeight: 408.92218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=C3C(=C(C=C2)Cl)N=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=C3C(=C(C=C2)Cl)N=CS3

InChI

InChI=1S/C18H17ClN2O3S2/c1-12-4-6-13(7-5-12)26(23,24)10-2-3-16(22)21-15-9-8-14(19)17-18(15)25-11-20-17/h4-9,11H,2-3,10H2,1H3,(H,21,22)