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

Systemtic Name: [1-[(2-fluoranyl-5-methoxy-phenyl)methyl]piperidin-3-yl]methyl 4-(3-nitro-5-sulfamoyl-thiophen-2-yl)piperazine-1-carboxylate Openeye Name: [1-[(2-fluoro-5-methoxy-phenyl)methyl]-3-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-fluoro-5-methoxyphenyl)methyl]-3-piperidinyl]methyl ester IUPAC Name: [1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-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-fluoro-5-methoxy-benzyl)-3-piperidyl]methyl ester Formula: C23H30FN5O7S2 MolecularWeight: 571.642003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)CN2CCCC(C2)COC(=O)N3CCN(CC3)C4=C(C=C(S4)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)F)CN2CCCC(C2)COC(=O)N3CCN(CC3)C4=C(C=C(S4)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H30FN5O7S2/c1-35-18-4-5-19(24)17(11-18)14-26-6-2-3-16(13-26)15-36-23(30)28-9-7-27(8-10-28)22-20(29(31)32)12-21(37-22)38(25,33)34/h4-5,11-12,16H,2-3,6-10,13-15H2,1H3,(H2,25,33,34)