phenyl 4-[2-(methylsulfanylamino)-1-(3-oxidanylpiperazin-1-yl)ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[2-(methylsulfanylamino)-1-(3-oxidanylpiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[1-(3-hydroxypiperazin-1-yl)-2-(methylsulfanylamino)ethyl]benzenesulfonate CAS Name: 4-[1-(3-hydroxy-1-piperazinyl)-2-[(methylthio)amino]ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(3-hydroxypiperazin-1-yl)-2-(methylsulfanylamino)ethyl]benzenesulfonate Traditional Name: 4-[1-(3-hydroxypiperazino)-2-[(methylthio)amino]ethyl]benzenesulfonic acid phenyl ester Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S2/c1-27-21-13-18(22-12-11-20-19(23)14-22)15-7-9-17(10-8-15)28(24,25)26-16-5-3-2-4-6-16/h2-10,18-21,23H,11-14H2,1H3