methyl 3-[2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H22N4O8S2 MolecularWeight: 498.52998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(SC=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(SC=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O8S2/c1-30-16-4-3-13(11-15(16)23(26)27)33(28,29)22-8-6-21(7-9-22)12-17(24)20-14-5-10-32-18(14)19(25)31-2/h3-5,10-11H,6-9,12H2,1-2H3,(H,20,24)