methyl 3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-[[5-(2-fluorophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[[5-(2-fluorophenyl)-2-thiophenyl]methyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-[[5-(2-fluorophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C24H22FN3O5S MolecularWeight: 483.511983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=C(S3)C4=CC=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=C(S3)C4=CC=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C24H22FN3O5S/c1-33-24(30)17-12-16(13-18(14-17)28(31)32)23(29)27-10-8-26(9-11-27)15-19-6-7-22(34-19)20-4-2-3-5-21(20)25/h2-7,12-14H,8-11,15H2,1H3