ethyl 2-[4-[ethyl-(phenylmethyl)carbamoyl]-2-nitro-phenyl]sulfonylethanoate

Systemtic Name: ethyl 2-[4-[ethyl-(phenylmethyl)carbamoyl]-2-nitro-phenyl]sulfonylethanoate Openeye Name: ethyl 2-[4-[benzyl(ethyl)carbamoyl]-2-nitro-phenyl]sulfonylacetate CAS Name: 2-[4-[[ethyl-(phenylmethyl)amino]-oxomethyl]-2-nitrophenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[benzyl(ethyl)carbamoyl]-2-nitrophenyl]sulfonylacetate Traditional Name: 2-[4-[benzyl(ethyl)carbamoyl]-2-nitro-phenyl]sulfonylacetic acid ethyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7S/c1-3-21(13-15-8-6-5-7-9-15)20(24)16-10-11-18(17(12-16)22(25)26)30(27,28)14-19(23)29-4-2/h5-12H,3-4,13-14H2,1-2H3