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

Systemtic Name: 6-ethoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(phenylsulfonyl)quinoline Openeye Name: 3-(benzenesulfonyl)-6-ethoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline CAS Name: 3-(benzenesulfonyl)-6-ethoxy-4-[4-(4-methoxyphenyl)-1-piperazinyl]quinoline IUPAC Name: 3-(benzenesulfonyl)-6-ethoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline Traditional Name: 3-besyl-6-ethoxy-4-[4-(4-methoxyphenyl)piperazino]quinoline Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCOC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H29N3O4S/c1-3-35-23-13-14-26-25(19-23)28(27(20-29-26)36(32,33)24-7-5-4-6-8-24)31-17-15-30(16-18-31)21-9-11-22(34-2)12-10-21/h4-14,19-20H,3,15-18H2,1-2H3