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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC(=O)NCCC(C)C)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC(=O)NCCC(C)C)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C21H26ClN3O5S/c1-14(2)9-10-23-21(26)13-24(19-8-5-15(3)11-16(19)4)31(29,30)17-6-7-18(22)20(12-17)25(27)28/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,23,26)