[4-(2-hydroxyphenyl)-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamic acid

Systemtic Name: [4-(2-hydroxyphenyl)-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamic acid Openeye Name: [4-(2-hydroxyphenyl)-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamic acid CAS Name: [4-(2-hydroxyphenyl)-2-[3-(methylthio)-1-piperazinyl]phenyl]sulfamic acid IUPAC Name: [4-(2-hydroxyphenyl)-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamic acid Traditional Name: [4-(2-hydroxyphenyl)-2-[3-(methylthio)piperazino]phenyl]sulfamic acid Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CN(CCN1)C2=C(C=CC(=C2)C3=CC=CC=C3O)NS(=O)(=O)O

Isomeric SMILES

CSC1CN(CCN1)C2=C(C=CC(=C2)C3=CC=CC=C3O)NS(=O)(=O)O

InChI

InChI=1S/C17H21N3O4S2/c1-25-17-11-20(9-8-18-17)15-10-12(13-4-2-3-5-16(13)21)6-7-14(15)19-26(22,23)24/h2-7,10,17-19,21H,8-9,11H2,1H3,(H,22,23,24)