2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-(2,4-dimethylphenyl)amino]-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)sulfonyl-(2,4-dimethylphenyl)amino]-N-pentan-3-yl-ethanamide Openeye Name: 2-(N-(4-chloro-3-nitro-phenyl)sulfonyl-2,4-dimethyl-anilino)-N-(1-ethylpropyl)acetamide CAS Name: 2-(N-(4-chloro-3-nitrophenyl)sulfonyl-2,4-dimethylanilino)-N-pentan-3-ylacetamide IUPAC Name: 2-(N-(4-chloro-3-nitrophenyl)sulfonyl-2,4-dimethylanilino)-N-pentan-3-ylacetamide Traditional Name: 2-(N-(4-chloro-3-nitro-phenyl)sulfonyl-2,4-dimethyl-anilino)-N-(1-ethylpropyl)acetamide Formula: C21H26ClN3O5S MolecularWeight: 467.96624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CN(C1=C(C=C(C=C1)C)C)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC(=O)CN(C1=C(C=C(C=C1)C)C)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H26ClN3O5S/c1-5-16(6-2)23-21(26)13-24(19-10-7-14(3)11-15(19)4)31(29,30)17-8-9-18(22)20(12-17)25(27)28/h7-12,16H,5-6,13H2,1-4H3,(H,23,26)