[6-[[3-(2-methylsulfinylphenoxy)-2-oxidanyl-propyl]-piperidin-4-yl-amino]pyridin-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [6-[[3-(2-methylsulfinylphenoxy)-2-oxidanyl-propyl]-piperidin-4-yl-amino]pyridin-3-yl]-piperidin-1-yl-methanone Openeye Name: [6-[[2-hydroxy-3-(2-methylsulfinylphenoxy)propyl]-(4-piperidyl)amino]-3-pyridyl]-(1-piperidyl)methanone CAS Name: [6-[[2-hydroxy-3-(2-methylsulfinylphenoxy)propyl]-(4-piperidinyl)amino]-3-pyridinyl]-(1-piperidinyl)methanone IUPAC Name: [6-[[2-hydroxy-3-(2-methylsulfinylphenoxy)propyl]-piperidin-4-ylamino]pyridin-3-yl]-piperidin-1-ylmethanone Traditional Name: [6-[[2-hydroxy-3-(2-methylsulfinylphenoxy)propyl]-(4-piperidyl)amino]-3-pyridyl]-piperidino-methanone Formula: C26H36N4O4S MolecularWeight: 500.65344

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC=CC=C1OCC(CN(C2CCNCC2)C3=NC=C(C=C3)C(=O)N4CCCCC4)O

Isomeric SMILES

CS(=O)C1=CC=CC=C1OCC(CN(C2CCNCC2)C3=NC=C(C=C3)C(=O)N4CCCCC4)O

InChI

InChI=1S/C26H36N4O4S/c1-35(33)24-8-4-3-7-23(24)34-19-22(31)18-30(21-11-13-27-14-12-21)25-10-9-20(17-28-25)26(32)29-15-5-2-6-16-29/h3-4,7-10,17,21-22,27,31H,2,5-6,11-16,18-19H2,1H3