[4-(2-hydroxyethylsulfanyl)-1-(phenylmethyl)piperidin-4-yl] 2-[(4-but-2-ynoxyphenyl)sulfonylamino]butanoate

Systemtic Name: [4-(2-hydroxyethylsulfanyl)-1-(phenylmethyl)piperidin-4-yl] 2-[(4-but-2-ynoxyphenyl)sulfonylamino]butanoate Openeye Name: [1-benzyl-4-(2-hydroxyethylsulfanyl)-4-piperidyl] 2-[(4-but-2-ynoxyphenyl)sulfonylamino]butanoate CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]butanoic acid [4-(2-hydroxyethylthio)-1-(phenylmethyl)-4-piperidinyl] ester IUPAC Name: [1-benzyl-4-(2-hydroxyethylsulfanyl)piperidin-4-yl] 2-[(4-but-2-ynoxyphenyl)sulfonylamino]butanoate Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]butyric acid [1-benzyl-4-(2-hydroxyethylthio)-4-piperidyl] ester Formula: C28H36N2O6S2 MolecularWeight: 560.72524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1(CCN(CC1)CC2=CC=CC=C2)SCCO)NS(=O)(=O)C3=CC=C(C=C3)OCC#CC

Isomeric SMILES

CCC(C(=O)OC1(CCN(CC1)CC2=CC=CC=C2)SCCO)NS(=O)(=O)C3=CC=C(C=C3)OCC#CC

InChI

InChI=1S/C28H36N2O6S2/c1-3-5-20-35-24-11-13-25(14-12-24)38(33,34)29-26(4-2)27(32)36-28(37-21-19-31)15-17-30(18-16-28)22-23-9-7-6-8-10-23/h6-14,26,29,31H,4,15-22H2,1-2H3