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

Systemtic Name: 6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(phenylsulfonyl)quinoline Openeye Name: 3-(benzenesulfonyl)-6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline CAS Name: 3-(benzenesulfonyl)-6-ethyl-4-[4-(2-methoxyphenyl)-1-piperazinyl]quinoline IUPAC Name: 3-(benzenesulfonyl)-6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline Traditional Name: 3-besyl-6-ethyl-4-[4-(2-methoxyphenyl)piperazino]quinoline Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CCC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C28H29N3O3S/c1-3-21-13-14-24-23(19-21)28(27(20-29-24)35(32,33)22-9-5-4-6-10-22)31-17-15-30(16-18-31)25-11-7-8-12-26(25)34-2/h4-14,19-20H,3,15-18H2,1-2H3