methyl 5-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[(2-nitrophenyl)methyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-(2-nitrobenzyl)piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C17H19N3O6S2 MolecularWeight: 425.47926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6S2/c1-26-17(21)14-10-16(27-12-14)28(24,25)19-8-6-18(7-9-19)11-13-4-2-3-5-15(13)20(22)23/h2-5,10,12H,6-9,11H2,1H3