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

Systemtic Name: [4-(phenylsulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-pyridyl)-4-piperidyl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(1-pyridin-4-yl-4-piperidinyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone Traditional Name: (4-besylpiperazino)-[1-(4-pyridyl)-4-piperidyl]methanone Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c26-21(18-8-12-23(13-9-18)19-6-10-22-11-7-19)24-14-16-25(17-15-24)29(27,28)20-4-2-1-3-5-20/h1-7,10-11,18H,8-9,12-17H2