ethyl 4-[3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[3-(2-nitro-4-sulfamoyl-anilino)propanoylamino]piperidine-1-carboxylate CAS Name: 4-[[3-(2-nitro-4-sulfamoylanilino)-1-oxopropyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-nitro-4-sulfamoylanilino)propanoylamino]piperidine-1-carboxylate Traditional Name: 4-[3-(2-nitro-4-sulfamoyl-anilino)propanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C17H25N5O7S MolecularWeight: 443.4747

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O7S/c1-2-29-17(24)21-9-6-12(7-10-21)20-16(23)5-8-19-14-4-3-13(30(18,27)28)11-15(14)22(25)26/h3-4,11-12,19H,2,5-10H2,1H3,(H,20,23)(H2,18,27,28)