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

Systemtic Name: methyl N-[4-(2-hydroxyphenyl)-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl N-[4-(2-hydroxyphenyl)-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-(2-hydroxyphenyl)-2-[3-(methylthio)piperazino]phenyl]sulfamic acid methyl ester Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S2/c1-25-27(23,24)20-15-8-7-13(14-5-3-4-6-17(14)22)11-16(15)21-10-9-19-18(12-21)26-2/h3-8,11,18-20,22H,9-10,12H2,1-2H3