2-[(5-chloranyl-2-methoxy-phenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-N-(3-methylbutyl)ethanamide

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-N-(3-methylbutyl)ethanamide Openeye Name: 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)-N-isopentyl-acetamide CAS Name: 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-(3-methylbutyl)acetamide IUPAC Name: 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-(3-methylbutyl)acetamide Traditional Name: 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)-N-isoamyl-acetamide Formula: C21H26ClN3O6S MolecularWeight: 483.96564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O6S/c1-14(2)9-10-23-21(26)13-24(19-11-16(22)6-8-20(19)31-4)32(29,30)17-7-5-15(3)18(12-17)25(27)28/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,23,26)