phenyl 4-[2-(oxidanylamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(oxidanylamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(hydroxyamino)-1-(4-isopropylsulfonylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(hydroxyamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(hydroxyamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(hydroxyamino)-1-(4-isopropylsulfonylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C21H29N3O6S2 MolecularWeight: 483.60146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNO)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNO)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O6S2/c1-16(2)31(26,27)19-10-8-17(9-11-19)20(14-23-25)24-13-12-22-21(15-24)32(28,29)30-18-6-4-3-5-7-18/h3-11,16,20-23,25H,12-15H2,1-2H3