[(3S)-1-(phenylsulfonyl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [(3S)-1-(phenylsulfonyl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [(3S)-1-(benzenesulfonyl)-3-piperidyl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [(3S)-1-(benzenesulfonyl)-3-piperidinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [(3S)-1-(benzenesulfonyl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [(3S)-1-besyl-3-piperidyl]-[4-(2-pyridyl)piperazino]methanone Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H26N4O3S/c26-21(24-15-13-23(14-16-24)20-10-4-5-11-22-20)18-7-6-12-25(17-18)29(27,28)19-8-2-1-3-9-19/h1-5,8-11,18H,6-7,12-17H2/t18-/m0/s1