[2-[3-[3-[[3-(2-azanylethylsulfanylmethyl)piperidin-1-yl]methyl]phenoxy]propylamino]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[3-[3-[[3-(2-azanylethylsulfanylmethyl)piperidin-1-yl]methyl]phenoxy]propylamino]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[3-[3-[[3-(2-aminoethylsulfanylmethyl)-1-piperidyl]methyl]phenoxy]propylamino]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[3-[3-[[3-[(2-aminoethylthio)methyl]-1-piperidinyl]methyl]phenoxy]propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-[3-[[3-(2-aminoethylsulfanylmethyl)piperidin-1-yl]methyl]phenoxy]propylamino]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[3-[3-[[3-[(2-aminoethylthio)methyl]piperidino]methyl]phenoxy]propylamino]-2-keto-ethyl] ester Formula: C22H35N3O4S MolecularWeight: 437.596

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)NCCCOC1=CC=CC(=C1)CN2CCCC(C2)CSCCN

Isomeric SMILES

CC(=O)OCC(=O)NCCCOC1=CC=CC(=C1)CN2CCCC(C2)CSCCN

InChI

InChI=1S/C22H35N3O4S/c1-18(26)29-16-22(27)24-9-4-11-28-21-7-2-5-19(13-21)14-25-10-3-6-20(15-25)17-30-12-8-23/h2,5,7,13,20H,3-4,6,8-12,14-17,23H2,1H3,(H,24,27)