6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonyl-quinoline

Systemtic Name: 6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonyl-quinoline Openeye Name: 6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonyl-quinoline CAS Name: 6-ethyl-4-[4-(2-fluorophenyl)-1-piperazinyl]-3-(4-methoxyphenyl)sulfonylquinoline IUPAC Name: 6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonylquinoline Traditional Name: 6-ethyl-4-[4-(2-fluorophenyl)piperazino]-3-(4-methoxyphenyl)sulfonyl-quinoline Formula: C28H28FN3O3S MolecularWeight: 505.603623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)OC)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CCC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)OC)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C28H28FN3O3S/c1-3-20-8-13-25-23(18-20)28(32-16-14-31(15-17-32)26-7-5-4-6-24(26)29)27(19-30-25)36(33,34)22-11-9-21(35-2)10-12-22/h4-13,18-19H,3,14-17H2,1-2H3