1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazine

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazine Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)methyl]-4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazine CAS Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]piperazine IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazine Traditional Name: 1-(3-fluoro-4-methoxy-benzyl)-4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazine Formula: C23H29FN4O5S MolecularWeight: 492.563563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-])F

InChI

InChI=1S/C23H29FN4O5S/c1-33-23-8-5-18(15-20(23)24)17-25-11-13-26(14-12-25)21-7-6-19(16-22(21)28(29)30)34(31,32)27-9-3-2-4-10-27/h5-8,15-16H,2-4,9-14,17H2,1H3