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

Systemtic Name: methyl 2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methyl]furan-3-carboxylic acid methyl ester Formula: C18H21N3O8S MolecularWeight: 439.43964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CO3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CO3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O8S/c1-27-16-4-3-13(11-15(16)21(23)24)30(25,26)20-8-6-19(7-9-20)12-17-14(5-10-29-17)18(22)28-2/h3-5,10-11H,6-9,12H2,1-2H3