3-[(4-chlorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]propanoate

Systemtic Name: 3-[(4-chlorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]propanoate Openeye Name: 3-[(4-chlorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]propanoate CAS Name: 3-[(4-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]propanoate IUPAC Name: 3-[(4-chlorophenyl)methyl-(4-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-chlorobenzyl)-nosyl-amino]propionate Formula: C16H14ClN2O6S- MolecularWeight: 397.81016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CCC(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CN(CCC(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN2O6S/c17-13-3-1-12(2-4-13)11-18(10-9-16(20)21)26(24,25)15-7-5-14(6-8-15)19(22)23/h1-8H,9-11H2,(H,20,21)/p-1