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

Systemtic Name: [1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl 4-(3-nitro-5-sulfamoyl-thiophen-2-yl)piperazine-1-carboxylate Openeye Name: [1-[(2-fluorophenyl)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-[(2-fluorophenyl)methyl]-2-piperidinyl]methyl ester IUPAC Name: [1-[(2-fluorophenyl)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-(2-fluorobenzyl)-2-piperidyl]methyl ester Formula: C22H28FN5O6S2 MolecularWeight: 541.616023

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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=CC=CC=C4F

Isomeric SMILES

C1CCN(C(C1)COC(=O)N2CCN(CC2)C3=C(C=C(S3)S(=O)(=O)N)[N+](=O)[O-])CC4=CC=CC=C4F

InChI

InChI=1S/C22H28FN5O6S2/c23-18-7-2-1-5-16(18)14-27-8-4-3-6-17(27)15-34-22(29)26-11-9-25(10-12-26)21-19(28(30)31)13-20(35-21)36(24,32)33/h1-2,5,7,13,17H,3-4,6,8-12,14-15H2,(H2,24,32,33)