2-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]ethyl 4-(3-nitro-5-sulfamoyl-thiophen-2-yl)piperazine-1-carboxylate

Systemtic Name: 2-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]ethyl 4-(3-nitro-5-sulfamoyl-thiophen-2-yl)piperazine-1-carboxylate Openeye Name: 2-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]ethyl 4-(3-nitro-5-sulfamoyl-2-thienyl)piperazine-1-carboxylate CAS Name: 4-(3-nitro-5-sulfamoyl-2-thiophenyl)-1-piperazinecarboxylic acid 2-[4-[(4-phenoxyphenyl)methyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]ethyl 4-(3-nitro-5-sulfamoylthiophen-2-yl)piperazine-1-carboxylate Traditional Name: 4-(3-nitro-5-sulfamoyl-2-thienyl)piperazine-1-carboxylic acid 2-[4-(4-phenoxybenzyl)piperazino]ethyl ester Formula: C28H34N6O7S2 MolecularWeight: 630.73556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)N2CCN(CC2)C3=C(C=C(S3)S(=O)(=O)N)[N+](=O)[O-])CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCOC(=O)N2CCN(CC2)C3=C(C=C(S3)S(=O)(=O)N)[N+](=O)[O-])CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H34N6O7S2/c29-43(38,39)26-20-25(34(36)37)27(42-26)32-14-16-33(17-15-32)28(35)40-19-18-30-10-12-31(13-11-30)21-22-6-8-24(9-7-22)41-23-4-2-1-3-5-23/h1-9,20H,10-19,21H2,(H2,29,38,39)