[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [(3S)-1-(4-chlorophenyl)sulfonyl-3-piperidyl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [(3S)-1-(4-chlorophenyl)sulfonyl-3-piperidinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [(3S)-1-(4-chlorophenyl)sulfonyl-3-piperidyl]-[4-(2-pyridyl)piperazino]methanone Formula: C21H25ClN4O3S MolecularWeight: 448.9662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O3S/c22-18-6-8-19(9-7-18)30(28,29)26-11-3-4-17(16-26)21(27)25-14-12-24(13-15-25)20-5-1-2-10-23-20/h1-2,5-10,17H,3-4,11-16H2/t17-/m0/s1