methyl 3-[[4-(3-ethoxypropylsulfamoyl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(3-ethoxypropylsulfamoyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(3-ethoxypropylsulfamoyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-(3-ethoxypropylsulfamoyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(3-ethoxypropylsulfamoyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(3-ethoxypropylsulfamoyl)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H23N3O8S MolecularWeight: 465.47692

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCOCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H23N3O8S/c1-3-31-10-4-9-21-32(28,29)18-7-5-16(6-8-18)22-19(24)14-11-15(20(25)30-2)13-17(12-14)23(26)27/h5-8,11-13,21H,3-4,9-10H2,1-2H3,(H,22,24)