phenylsulfonylamino 2-[(3-nitrophenyl)methyl]butanoate

Systemtic Name: phenylsulfonylamino 2-[(3-nitrophenyl)methyl]butanoate Openeye Name: benzenesulfonamido 2-[(3-nitrophenyl)methyl]butanoate CAS Name: 2-[(3-nitrophenyl)methyl]butanoic acid benzenesulfonamido ester IUPAC Name: benzenesulfonamido 2-[(3-nitrophenyl)methyl]butanoate Traditional Name: 2-(3-nitrobenzyl)butyric acid benzenesulfonamido ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)ONS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)ONS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H18N2O6S/c1-2-14(11-13-7-6-8-15(12-13)19(21)22)17(20)25-18-26(23,24)16-9-4-3-5-10-16/h3-10,12,14,18H,2,11H2,1H3