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

Systemtic Name: [4-(2-hydroxyethylsulfanyl)-1-(phenylmethyl)piperidin-4-yl] 2-[(4-but-2-ynoxyphenyl)sulfonylamino]ethanoate Openeye Name: [1-benzyl-4-(2-hydroxyethylsulfanyl)-4-piperidyl] 2-[(4-but-2-ynoxyphenyl)sulfonylamino]acetate CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]acetic 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]acetate Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]acetic acid [1-benzyl-4-(2-hydroxyethylthio)-4-piperidyl] ester Formula: C26H32N2O6S2 MolecularWeight: 532.67208

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OC2(CCN(CC2)CC3=CC=CC=C3)SCCO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OC2(CCN(CC2)CC3=CC=CC=C3)SCCO

InChI

InChI=1S/C26H32N2O6S2/c1-2-3-18-33-23-9-11-24(12-10-23)36(31,32)27-20-25(30)34-26(35-19-17-29)13-15-28(16-14-26)21-22-7-5-4-6-8-22/h4-12,27,29H,13-21H2,1H3