[3-[ethyl(pyridin-4-ylmethyl)amino]-3-oxidanylidene-2-phenyl-propyl] 4-(3-nitro-5-sulfamoyl-thiophen-2-yl)piperazine-1-carboxylate

Systemtic Name: [3-[ethyl(pyridin-4-ylmethyl)amino]-3-oxidanylidene-2-phenyl-propyl] 4-(3-nitro-5-sulfamoyl-thiophen-2-yl)piperazine-1-carboxylate Openeye Name: [3-[ethyl(4-pyridylmethyl)amino]-3-oxo-2-phenyl-propyl] 4-(3-nitro-5-sulfamoyl-2-thienyl)piperazine-1-carboxylate CAS Name: 4-(3-nitro-5-sulfamoyl-2-thiophenyl)-1-piperazinecarboxylic acid [3-[ethyl(pyridin-4-ylmethyl)amino]-3-oxo-2-phenylpropyl] ester IUPAC Name: [3-[ethyl(pyridin-4-ylmethyl)amino]-3-oxo-2-phenylpropyl] 4-(3-nitro-5-sulfamoylthiophen-2-yl)piperazine-1-carboxylate Traditional Name: 4-(3-nitro-5-sulfamoyl-2-thienyl)piperazine-1-carboxylic acid [3-[ethyl(4-pyridylmethyl)amino]-3-keto-2-phenyl-propyl] ester Formula: C26H30N6O7S2 MolecularWeight: 602.6824

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C(=O)C(COC(=O)N2CCN(CC2)C3=C(C=C(S3)S(=O)(=O)N)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCN(CC1=CC=NC=C1)C(=O)C(COC(=O)N2CCN(CC2)C3=C(C=C(S3)S(=O)(=O)N)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H30N6O7S2/c1-2-29(17-19-8-10-28-11-9-19)24(33)21(20-6-4-3-5-7-20)18-39-26(34)31-14-12-30(13-15-31)25-22(32(35)36)16-23(40-25)41(27,37)38/h3-11,16,21H,2,12-15,17-18H2,1H3,(H2,27,37,38)