[4-(2-hydroxyethylsulfanyl)-1-(phenylmethyl)piperidin-4-yl] 2-formamidobutanoate

Systemtic Name: [4-(2-hydroxyethylsulfanyl)-1-(phenylmethyl)piperidin-4-yl] 2-formamidobutanoate Openeye Name: [1-benzyl-4-(2-hydroxyethylsulfanyl)-4-piperidyl] 2-formamidobutanoate CAS Name: 2-formamidobutanoic acid [4-(2-hydroxyethylthio)-1-(phenylmethyl)-4-piperidinyl] ester IUPAC Name: [1-benzyl-4-(2-hydroxyethylsulfanyl)piperidin-4-yl] 2-formamidobutanoate Traditional Name: 2-formamidobutyric acid [1-benzyl-4-(2-hydroxyethylthio)-4-piperidyl] ester Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1(CCN(CC1)CC2=CC=CC=C2)SCCO)NC=O

Isomeric SMILES

CCC(C(=O)OC1(CCN(CC1)CC2=CC=CC=C2)SCCO)NC=O

InChI

InChI=1S/C19H28N2O4S/c1-2-17(20-15-23)18(24)25-19(26-13-12-22)8-10-21(11-9-19)14-16-6-4-3-5-7-16/h3-7,15,17,22H,2,8-14H2,1H3,(H,20,23)