ethyl 3-[(4-chloranyl-3-nitro-phenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]-4-methyl-pentanoate

Systemtic Name: ethyl 3-[(4-chloranyl-3-nitro-phenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]-4-methyl-pentanoate Openeye Name: ethyl 3-[(4-chloro-3-nitro-phenyl)methyl-(4-methoxyphenyl)sulfonyl-amino]-4-methyl-pentanoate CAS Name: 3-[(4-chloro-3-nitrophenyl)methyl-(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-chloro-3-nitrophenyl)methyl-(4-methoxyphenyl)sulfonylamino]-4-methylpentanoate Traditional Name: 3-[(4-chloro-3-nitro-benzyl)-(4-methoxyphenyl)sulfonyl-amino]-4-methyl-valeric acid ethyl ester Formula: C22H27ClN2O7S MolecularWeight: 498.97698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O7S/c1-5-32-22(26)13-20(15(2)3)24(14-16-6-11-19(23)21(12-16)25(27)28)33(29,30)18-9-7-17(31-4)8-10-18/h6-12,15,20H,5,13-14H2,1-4H3