[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]methyl 4-(3-nitro-5-sulfamoyl-thiophen-2-yl)piperazine-1-carboxylate

Systemtic Name: [1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]methyl 4-(3-nitro-5-sulfamoyl-thiophen-2-yl)piperazine-1-carboxylate Openeye Name: [1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-piperidyl]methyl 4-(3-nitro-5-sulfamoyl-2-thienyl)piperazine-1-carboxylate CAS Name: 4-(3-nitro-5-sulfamoyl-2-thiophenyl)-1-piperazinecarboxylic acid [1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-piperidinyl]methyl ester IUPAC Name: [1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-2-yl]methyl 4-(3-nitro-5-sulfamoylthiophen-2-yl)piperazine-1-carboxylate Traditional Name: 4-(3-nitro-5-sulfamoyl-2-thienyl)piperazine-1-carboxylic acid [1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-piperidyl]methyl ester Formula: C23H28N6O10S2 MolecularWeight: 612.63262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)COC(=O)N2CCN(CC2)C3=C(C=C(S3)S(=O)(=O)N)[N+](=O)[O-])CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

C1CCN(C(C1)COC(=O)N2CCN(CC2)C3=C(C=C(S3)S(=O)(=O)N)[N+](=O)[O-])CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C23H28N6O10S2/c24-41(35,36)21-11-18(29(33)34)22(40-21)25-5-7-26(8-6-25)23(30)37-13-16-3-1-2-4-27(16)12-15-9-19-20(39-14-38-19)10-17(15)28(31)32/h9-11,16H,1-8,12-14H2,(H2,24,35,36)