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

Systemtic Name: [2-(3-methylsulfanylpiperazin-1-yl)-4-phenoxysulfonyl-phenyl]sulfamic acid Openeye Name: [2-(3-methylsulfanylpiperazin-1-yl)-4-phenoxysulfonyl-phenyl]sulfamic acid CAS Name: [2-[3-(methylthio)-1-piperazinyl]-4-phenoxysulfonylphenyl]sulfamic acid IUPAC Name: [2-(3-methylsulfanylpiperazin-1-yl)-4-phenoxysulfonylphenyl]sulfamic acid Traditional Name: [2-[3-(methylthio)piperazino]-4-phenoxysulfonyl-phenyl]sulfamic acid Formula: C17H21N3O6S3 MolecularWeight: 459.56014

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CN(CCN1)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)O

Isomeric SMILES

CSC1CN(CCN1)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)O

InChI

InChI=1S/C17H21N3O6S3/c1-27-17-12-20(10-9-18-17)16-11-14(7-8-15(16)19-29(23,24)25)28(21,22)26-13-5-3-2-4-6-13/h2-8,11,17-19H,9-10,12H2,1H3,(H,23,24,25)