phenyl 4-[2-(ethoxyamino)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[2-(ethoxyamino)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(ethoxyamino)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(ethoxyamino)-1-[3-(methylthio)-1-piperazinyl]ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(ethoxyamino)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(ethoxyamino)-1-[3-(methylthio)piperazino]ethyl]benzenesulfonic acid phenyl ester Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

CCONCC(C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

CCONCC(C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)SC

InChI

InChI=1S/C21H29N3O4S2/c1-3-27-23-15-20(24-14-13-22-21(16-24)29-2)17-9-11-19(12-10-17)30(25,26)28-18-7-5-4-6-8-18/h4-12,20-23H,3,13-16H2,1-2H3