(3-phenylmethoxyphenyl)methyl 4-(3-nitro-5-sulfamoyl-thiophen-2-yl)piperazine-1-carboxylate

Systemtic Name: (3-phenylmethoxyphenyl)methyl 4-(3-nitro-5-sulfamoyl-thiophen-2-yl)piperazine-1-carboxylate Openeye Name: (3-benzyloxyphenyl)methyl 4-(3-nitro-5-sulfamoyl-2-thienyl)piperazine-1-carboxylate CAS Name: 4-(3-nitro-5-sulfamoyl-2-thiophenyl)-1-piperazinecarboxylic acid (3-phenylmethoxyphenyl)methyl ester IUPAC Name: (3-phenylmethoxyphenyl)methyl 4-(3-nitro-5-sulfamoylthiophen-2-yl)piperazine-1-carboxylate Traditional Name: 4-(3-nitro-5-sulfamoyl-2-thienyl)piperazine-1-carboxylic acid (3-benzoxybenzyl) ester Formula: C23H24N4O7S2 MolecularWeight: 532.58926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(S2)S(=O)(=O)N)[N+](=O)[O-])C(=O)OCC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(S2)S(=O)(=O)N)[N+](=O)[O-])C(=O)OCC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O7S2/c24-36(31,32)21-14-20(27(29)30)22(35-21)25-9-11-26(12-10-25)23(28)34-16-18-7-4-8-19(13-18)33-15-17-5-2-1-3-6-17/h1-8,13-14H,9-12,15-16H2,(H2,24,31,32)