(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: [4-chloro-3-(1-piperidylsulfonyl)phenyl]-[4-(4-pyridylmethyl)piperazin-1-yl]methanone CAS Name: [4-chloro-3-(1-piperidinylsulfonyl)phenyl]-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-chloro-3-piperidin-1-ylsulfonylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: (4-chloro-3-piperidinosulfonyl-phenyl)-[4-(4-pyridylmethyl)piperazino]methanone Formula: C22H27ClN4O3S MolecularWeight: 462.99278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=NC=C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=NC=C4)Cl

InChI

InChI=1S/C22H27ClN4O3S/c23-20-5-4-19(16-21(20)31(29,30)27-10-2-1-3-11-27)22(28)26-14-12-25(13-15-26)17-18-6-8-24-9-7-18/h4-9,16H,1-3,10-15,17H2