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

Systemtic Name: [6-[4-[[2-oxidanyl-3-(4-oxidanyl-3-propylsulfinyl-phenoxy)propyl]amino]piperidin-1-yl]pyridin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [6-[4-[[2-hydroxy-3-(4-hydroxy-3-propylsulfinyl-phenoxy)propyl]amino]-1-piperidyl]-3-pyridyl]-pyrrolidin-1-yl-methanone CAS Name: [6-[4-[[2-hydroxy-3-(4-hydroxy-3-propylsulfinylphenoxy)propyl]amino]-1-piperidinyl]-3-pyridinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [6-[4-[[2-hydroxy-3-(4-hydroxy-3-propylsulfinylphenoxy)propyl]amino]piperidin-1-yl]pyridin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [6-[4-[[2-hydroxy-3-(4-hydroxy-3-propylsulfinyl-phenoxy)propyl]amino]piperidino]-3-pyridyl]-pyrrolidino-methanone Formula: C27H38N4O5S MolecularWeight: 530.67942

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)C1=C(C=CC(=C1)OCC(CNC2CCN(CC2)C3=NC=C(C=C3)C(=O)N4CCCC4)O)O

Isomeric SMILES

CCCS(=O)C1=C(C=CC(=C1)OCC(CNC2CCN(CC2)C3=NC=C(C=C3)C(=O)N4CCCC4)O)O

InChI

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