(3-pyrrolidin-1-ylsulfonylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (3-pyrrolidin-1-ylsulfonylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone Openeye Name: (3-pyrrolidin-1-ylsulfonylphenyl)-[4-(8-quinolylmethyl)piperazin-1-yl]methanone CAS Name: [3-(1-pyrrolidinylsulfonyl)phenyl]-[4-(8-quinolinylmethyl)-1-piperazinyl]methanone IUPAC Name: (3-pyrrolidin-1-ylsulfonylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone Traditional Name: (3-pyrrolidinosulfonylphenyl)-[4-(8-quinolylmethyl)piperazino]methanone Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H28N4O3S/c30-25(21-7-4-10-23(18-21)33(31,32)29-12-1-2-13-29)28-16-14-27(15-17-28)19-22-8-3-6-20-9-5-11-26-24(20)22/h3-11,18H,1-2,12-17,19H2