ethyl 2-[(3-chlorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]-3-methyl-butanoate

Systemtic Name: ethyl 2-[(3-chlorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]-3-methyl-butanoate Openeye Name: ethyl 2-[(3-chlorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]-3-methyl-butanoate CAS Name: 2-[(3-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: 2-[(3-chlorobenzyl)-nosyl-amino]-3-methyl-butyric acid ethyl ester Formula: C20H23ClN2O6S MolecularWeight: 454.92442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O6S/c1-4-29-20(24)19(14(2)3)22(13-15-6-5-7-16(21)12-15)30(27,28)18-10-8-17(9-11-18)23(25)26/h5-12,14,19H,4,13H2,1-3H3