methyl 2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-(3-nitrophenyl)sulfonylpiperazino]methyl]furan-3-carboxylic acid methyl ester Formula: C17H19N3O7S MolecularWeight: 409.41366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(OC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O7S/c1-26-17(21)15-5-10-27-16(15)12-18-6-8-19(9-7-18)28(24,25)14-4-2-3-13(11-14)20(22)23/h2-5,10-11H,6-9,12H2,1H3