methyl 4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(3-nitrophenyl)sulfonylpiperazino]methyl]benzoic acid methyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S/c1-28-19(23)16-7-5-15(6-8-16)14-20-9-11-21(12-10-20)29(26,27)18-4-2-3-17(13-18)22(24)25/h2-8,13H,9-12,14H2,1H3