4-(4-chlorophenyl)sulfonyl-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfonyl-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-(4-chlorophenyl)sulfonyl-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(4-chlorophenyl)sulfonyl-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(4-chlorophenyl)sulfonyl-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-(4-chlorophenyl)sulfonyl-N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)butyramide Formula: C18H16ClN3O5S2 MolecularWeight: 453.91974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O5S2/c1-21-15-11-13(22(24)25)6-9-16(15)28-18(21)20-17(23)3-2-10-29(26,27)14-7-4-12(19)5-8-14/h4-9,11H,2-3,10H2,1H3