3-(4-pyrrolidin-1-ylsulfonylphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-pyrrolidin-1-ylsulfonylphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-pyrrolidin-1-ylsulfonylphenyl)-1-[4-(2-quinolyl)piperazin-1-yl]propan-1-one CAS Name: 3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-[4-(2-quinolinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-pyrrolidin-1-ylsulfonylphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(4-pyrrolidinosulfonylphenyl)-1-[4-(2-quinolyl)piperazino]propan-1-one Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H30N4O3S/c31-26(14-9-21-7-11-23(12-8-21)34(32,33)30-15-3-4-16-30)29-19-17-28(18-20-29)25-13-10-22-5-1-2-6-24(22)27-25/h1-2,5-8,10-13H,3-4,9,14-20H2