2-[1-azanyl-1-oxidanylidene-6-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-hexan-2-yl]sulfanylethyl propanoate

Systemtic Name: 2-[1-azanyl-1-oxidanylidene-6-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-hexan-2-yl]sulfanylethyl propanoate Openeye Name: 2-[1-carbamoyl-5-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]pentyl]sulfanylethyl propanoate CAS Name: propanoic acid 2-[[1-amino-1-oxo-6-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]hexan-2-yl]thio]ethyl ester IUPAC Name: 2-[1-amino-1-oxo-6-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxyhexan-2-yl]sulfanylethyl propanoate Traditional Name: propionic acid 2-[[1-carbamoyl-5-[[4-(piperidinomethyl)-2-pyridyl]oxy]pentyl]thio]ethyl ester Formula: C22H35N3O4S MolecularWeight: 437.596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCSC(CCCCOC1=NC=CC(=C1)CN2CCCCC2)C(=O)N

Isomeric SMILES

CCC(=O)OCCSC(CCCCOC1=NC=CC(=C1)CN2CCCCC2)C(=O)N

InChI

InChI=1S/C22H35N3O4S/c1-2-21(26)29-14-15-30-19(22(23)27)8-4-7-13-28-20-16-18(9-10-24-20)17-25-11-5-3-6-12-25/h9-10,16,19H,2-8,11-15,17H2,1H3,(H2,23,27)