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

Systemtic Name: 2-[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-yl]ethyl 4-(3-nitro-5-sulfamoyl-thiophen-2-yl)piperazine-1-carboxylate Openeye Name: 2-[4-[(3-bromo-4-methoxy-phenyl)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-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[(3-bromo-4-methoxyphenyl)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-(3-bromo-4-methoxy-benzyl)piperazino]ethyl ester Formula: C23H31BrN6O7S2 MolecularWeight: 647.56224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CCOC(=O)N3CCN(CC3)C4=C(C=C(S4)S(=O)(=O)N)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CCOC(=O)N3CCN(CC3)C4=C(C=C(S4)S(=O)(=O)N)[N+](=O)[O-])Br

InChI

InChI=1S/C23H31BrN6O7S2/c1-36-20-3-2-17(14-18(20)24)16-27-6-4-26(5-7-27)12-13-37-23(31)29-10-8-28(9-11-29)22-19(30(32)33)15-21(38-22)39(25,34)35/h2-3,14-15H,4-13,16H2,1H3,(H2,25,34,35)