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

Systemtic Name: phenyl 4-[1-(4-methylphenyl)-2-(oxidanylamino)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(hydroxyamino)-1-(p-tolyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(hydroxyamino)-1-(4-methylphenyl)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(hydroxyamino)-1-(4-methylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(hydroxyamino)-1-(p-tolyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNO)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(CNO)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O4S/c1-15-7-9-16(10-8-15)18(13-21-23)22-12-11-20-19(14-22)27(24,25)26-17-5-3-2-4-6-17/h2-10,18-21,23H,11-14H2,1H3