ethyl 2-[2-nitro-4-(1-phenylbutan-2-ylcarbamoyl)phenyl]sulfonylethanoate

Systemtic Name: ethyl 2-[2-nitro-4-(1-phenylbutan-2-ylcarbamoyl)phenyl]sulfonylethanoate Openeye Name: ethyl 2-[4-(1-benzylpropylcarbamoyl)-2-nitro-phenyl]sulfonylacetate CAS Name: 2-[2-nitro-4-[oxo-(1-phenylbutan-2-ylamino)methyl]phenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[2-nitro-4-(1-phenylbutan-2-ylcarbamoyl)phenyl]sulfonylacetate Traditional Name: 2-[4-(1-benzylpropylcarbamoyl)-2-nitro-phenyl]sulfonylacetic acid ethyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7S/c1-3-17(12-15-8-6-5-7-9-15)22-21(25)16-10-11-19(18(13-16)23(26)27)31(28,29)14-20(24)30-4-2/h5-11,13,17H,3-4,12,14H2,1-2H3,(H,22,25)