N-[4,7-bis(chloranyl)-1,3-benzothiazol-2-yl]-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-[4,7-bis(chloranyl)-1,3-benzothiazol-2-yl]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(4,7-dichloro-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(4,7-dichloro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-benzylsulfonyl-N-(4,7-dichloro-1,3-benzothiazol-2-yl)butyramide Formula: C18H16Cl2N2O3S2 MolecularWeight: 443.36724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2N2O3S2/c19-13-8-9-14(20)17-16(13)22-18(26-17)21-15(23)7-4-10-27(24,25)11-12-5-2-1-3-6-12/h1-3,5-6,8-9H,4,7,10-11H2,(H,21,22,23)