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

Systemtic Name: methyl 3-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-[[5-(3-fluorophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[[5-(3-fluorophenyl)-2-thiophenyl]methyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-[[5-(3-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=C4)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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