3-[4-(3-cyanophenyl)carbonylpiperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxy-benzenesulfonamide

Systemtic Name: 3-[4-(3-cyanophenyl)carbonylpiperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxy-benzenesulfonamide Openeye Name: 3-[4-(3-cyanobenzoyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxy-benzenesulfonamide CAS Name: 3-[4-[(3-cyanophenyl)-oxomethyl]-1-piperazinyl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide IUPAC Name: 3-[4-(3-cyanobenzoyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide Traditional Name: 3-[4-(3-cyanobenzoyl)piperazino]-N-[2-(4-fluorophenyl)ethyl]-4-methoxy-benzenesulfonamide Formula: C27H27FN4O4S MolecularWeight: 522.591083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)F)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)F)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H27FN4O4S/c1-36-26-10-9-24(37(34,35)30-12-11-20-5-7-23(28)8-6-20)18-25(26)31-13-15-32(16-14-31)27(33)22-4-2-3-21(17-22)19-29/h2-10,17-18,30H,11-16H2,1H3