N-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-4-(4-methylphenyl)sulfonyl-butanamide

Systemtic Name: N-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-4-(p-tolylsulfonyl)butanamide CAS Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-4-tosyl-butyramide Formula: C18H16Cl2N2O3S2 MolecularWeight: 443.36724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=NC3=C(S2)C=CC(=C3Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=NC3=C(S2)C=CC(=C3Cl)Cl

InChI

InChI=1S/C18H16Cl2N2O3S2/c1-11-4-6-12(7-5-11)27(24,25)10-2-3-15(23)21-18-22-17-14(26-18)9-8-13(19)16(17)20/h4-9H,2-3,10H2,1H3,(H,21,22,23)