3-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-[4-(4-aminophenyl)sulfonyl-1-piperazinyl]-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-2-hydroxypropane-1-sulfonic acid Traditional Name: 2-hydroxy-3-(4-sulfanilylpiperazino)propane-1-sulfonic acid Formula: C13H21N3O6S2 MolecularWeight: 379.45234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CS(=O)(=O)O)O)S(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

C1CN(CCN1CC(CS(=O)(=O)O)O)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C13H21N3O6S2/c14-11-1-3-13(4-2-11)24(21,22)16-7-5-15(6-8-16)9-12(17)10-23(18,19)20/h1-4,12,17H,5-10,14H2,(H,18,19,20)