[4-(phenylsulfonyl)piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone

Systemtic Name: [4-(phenylsulfonyl)piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-pyridylmethyl)-4-piperidyl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[1-(pyridin-4-ylmethyl)-4-piperidinyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone Traditional Name: (4-besylpiperazino)-[1-(4-pyridylmethyl)-4-piperidyl]methanone Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=NC=C4

InChI

InChI=1S/C22H28N4O3S/c27-22(20-8-12-24(13-9-20)18-19-6-10-23-11-7-19)25-14-16-26(17-15-25)30(28,29)21-4-2-1-3-5-21/h1-7,10-11,20H,8-9,12-18H2