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

Systemtic Name: ethyl 4-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]butanoate Openeye Name: ethyl 4-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]butanoate CAS Name: 4-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(2-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]butanoate Traditional Name: 4-[(2-chlorobenzyl)-nosyl-amino]butyric acid ethyl ester Formula: C19H21ClN2O6S MolecularWeight: 440.89784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(CC1=CC=CC=C1Cl)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCN(CC1=CC=CC=C1Cl)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN2O6S/c1-2-28-19(23)8-5-13-21(14-15-6-3-4-7-18(15)20)29(26,27)17-11-9-16(10-12-17)22(24)25/h3-4,6-7,9-12H,2,5,8,13-14H2,1H3