[6-[4-[[4-(3-methylsulfinyl-4-oxidanyl-phenoxy)-3-oxidanyl-butyl]amino]piperidin-1-yl]pyridin-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [6-[4-[[4-(3-methylsulfinyl-4-oxidanyl-phenoxy)-3-oxidanyl-butyl]amino]piperidin-1-yl]pyridin-3-yl]-piperidin-1-yl-methanone Openeye Name: [6-[4-[[3-hydroxy-4-(4-hydroxy-3-methylsulfinyl-phenoxy)butyl]amino]-1-piperidyl]-3-pyridyl]-(1-piperidyl)methanone CAS Name: [6-[4-[[3-hydroxy-4-(4-hydroxy-3-methylsulfinylphenoxy)butyl]amino]-1-piperidinyl]-3-pyridinyl]-(1-piperidinyl)methanone IUPAC Name: [6-[4-[[3-hydroxy-4-(4-hydroxy-3-methylsulfinylphenoxy)butyl]amino]piperidin-1-yl]pyridin-3-yl]-piperidin-1-ylmethanone Traditional Name: [6-[4-[[3-hydroxy-4-(4-hydroxy-3-methylsulfinyl-phenoxy)butyl]amino]piperidino]-3-pyridyl]-piperidino-methanone Formula: C27H38N4O5S MolecularWeight: 530.67942

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=CC(=C1)OCC(CCNC2CCN(CC2)C3=NC=C(C=C3)C(=O)N4CCCCC4)O)O

Isomeric SMILES

CS(=O)C1=C(C=CC(=C1)OCC(CCNC2CCN(CC2)C3=NC=C(C=C3)C(=O)N4CCCCC4)O)O

InChI

InChI=1S/C27H38N4O5S/c1-37(35)25-17-23(6-7-24(25)33)36-19-22(32)9-12-28-21-10-15-30(16-11-21)26-8-5-20(18-29-26)27(34)31-13-3-2-4-14-31/h5-8,17-18,21-22,28,32-33H,2-4,9-16,19H2,1H3