6-ethoxy-3-(4-methylphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline

Systemtic Name: 6-ethoxy-3-(4-methylphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline Openeye Name: 6-ethoxy-4-(4-phenylpiperazin-1-yl)-3-(p-tolylsulfonyl)quinoline CAS Name: 6-ethoxy-3-(4-methylphenyl)sulfonyl-4-(4-phenyl-1-piperazinyl)quinoline IUPAC Name: 6-ethoxy-3-(4-methylphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinoline Traditional Name: 6-ethoxy-4-(4-phenylpiperazino)-3-tosyl-quinoline Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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