N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-[4-(2-phenoxyethanoyl)piperazin-1-yl]benzenesulfonamide

Systemtic Name: N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-[4-(2-phenoxyethanoyl)piperazin-1-yl]benzenesulfonamide Openeye Name: N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-[4-(2-phenoxyacetyl)piperazin-1-yl]benzenesulfonamide CAS Name: N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-[4-(1-oxo-2-phenoxyethyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-[4-(2-phenoxyacetyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-[4-(2-phenoxyacetyl)piperazino]benzenesulfonamide Formula: C27H30FN3O5S MolecularWeight: 527.607603

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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)COC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)F)N3CCN(CC3)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C27H30FN3O5S/c1-35-26-12-11-24(37(33,34)29-14-13-21-7-9-22(28)10-8-21)19-25(26)30-15-17-31(18-16-30)27(32)20-36-23-5-3-2-4-6-23/h2-12,19,29H,13-18,20H2,1H3