4-(4-chlorophenyl)sulfonyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfonyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(4-chlorophenyl)sulfonyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(4-chlorophenyl)sulfonyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(4-chlorophenyl)sulfonyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(4-chlorophenyl)sulfonyl-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C18H16ClN3O6S2 MolecularWeight: 469.91914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O6S2/c1-28-14-9-12(22(24)25)10-15-17(14)21-18(29-15)20-16(23)3-2-8-30(26,27)13-6-4-11(19)5-7-13/h4-7,9-10H,2-3,8H2,1H3,(H,20,21,23)