1-[4-[4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(6-pyrrolidin-1-ylsulfonyl-2-quinolyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[6-(1-pyrrolidinylsulfonyl)-2-quinolinyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(6-pyrrolidinosulfonyl-2-quinolyl)piperazino]phenyl]ethanone Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC4=C(C=C3)C=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC4=C(C=C3)C=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C25H28N4O3S/c1-19(30)20-4-7-22(8-5-20)27-14-16-28(17-15-27)25-11-6-21-18-23(9-10-24(21)26-25)33(31,32)29-12-2-3-13-29/h4-11,18H,2-3,12-17H2,1H3