1-[4-(phenylsulfonyl)piperazin-1-yl]-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]propan-1-one

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[2-(1-piperidylmethyl)phenyl]methylamino]propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[[2-(1-piperidinylmethyl)phenyl]methylamino]-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]propan-1-one Traditional Name: 1-(4-besylpiperazino)-2-[[2-(piperidinomethyl)benzyl]amino]propan-1-one Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)NCC3=CC=CC=C3CN4CCCCC4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)NCC3=CC=CC=C3CN4CCCCC4

InChI

InChI=1S/C26H36N4O3S/c1-22(27-20-23-10-6-7-11-24(23)21-28-14-8-3-9-15-28)26(31)29-16-18-30(19-17-29)34(32,33)25-12-4-2-5-13-25/h2,4-7,10-13,22,27H,3,8-9,14-21H2,1H3