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

Systemtic Name: [6-[4-[[3-(3-butylsulfinyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]amino]piperidin-1-yl]pyridin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [6-[4-[[3-(3-butylsulfinyl-4-hydroxy-phenoxy)-2-hydroxy-propyl]amino]-1-piperidyl]-3-pyridyl]-pyrrolidin-1-yl-methanone CAS Name: [6-[4-[[3-(3-butylsulfinyl-4-hydroxyphenoxy)-2-hydroxypropyl]amino]-1-piperidinyl]-3-pyridinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [6-[4-[[3-(3-butylsulfinyl-4-hydroxyphenoxy)-2-hydroxypropyl]amino]piperidin-1-yl]pyridin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [6-[4-[[3-(3-butylsulfinyl-4-hydroxy-phenoxy)-2-hydroxy-propyl]amino]piperidino]-3-pyridyl]-pyrrolidino-methanone Formula: C28H40N4O5S MolecularWeight: 544.706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N4O5S/c1-2-3-16-38(36)26-17-24(7-8-25(26)34)37-20-23(33)19-29-22-10-14-31(15-11-22)27-9-6-21(18-30-27)28(35)32-12-4-5-13-32/h6-9,17-18,22-23,29,33-34H,2-5,10-16,19-20H2,1H3