2-[1-azanyl-1-oxidanylidene-7-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-heptan-2-yl]sulfanylethyl ethanoate

Systemtic Name: 2-[1-azanyl-1-oxidanylidene-7-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-heptan-2-yl]sulfanylethyl ethanoate Openeye Name: 2-[1-carbamoyl-6-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]hexyl]sulfanylethyl acetate CAS Name: acetic acid 2-[[1-amino-1-oxo-7-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]heptan-2-yl]thio]ethyl ester IUPAC Name: 2-[1-amino-1-oxo-7-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxyheptan-2-yl]sulfanylethyl acetate Traditional Name: acetic acid 2-[[1-carbamoyl-6-[[4-(piperidinomethyl)-2-pyridyl]oxy]hexyl]thio]ethyl ester Formula: C22H35N3O4S MolecularWeight: 437.596

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC(CCCCCOC1=NC=CC(=C1)CN2CCCCC2)C(=O)N

Isomeric SMILES

CC(=O)OCCSC(CCCCCOC1=NC=CC(=C1)CN2CCCCC2)C(=O)N

InChI

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