ethyl N-[4-(2-hydroxyphenyl)-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamate

Systemtic Name: ethyl N-[4-(2-hydroxyphenyl)-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamate Openeye Name: ethyl N-[4-(2-hydroxyphenyl)-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamate CAS Name: N-[4-(2-hydroxyphenyl)-2-[3-(methylthio)-1-piperazinyl]phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[4-(2-hydroxyphenyl)-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-(2-hydroxyphenyl)-2-[3-(methylthio)piperazino]phenyl]sulfamic acid ethyl ester Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2O)N3CCNC(C3)SC

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2O)N3CCNC(C3)SC

InChI

InChI=1S/C19H25N3O4S2/c1-3-26-28(24,25)21-16-9-8-14(15-6-4-5-7-18(15)23)12-17(16)22-11-10-20-19(13-22)27-2/h4-9,12,19-21,23H,3,10-11,13H2,1-2H3