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

Systemtic Name: phenyl 4-[1-(4-methylphenyl)-2-(phenoxysulfonylamino)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(phenoxysulfonylamino)-1-(p-tolyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[1-(4-methylphenyl)-2-(phenoxysulfonylamino)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(4-methylphenyl)-2-(phenoxysulfonylamino)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(phenoxysulfonylamino)-1-(p-tolyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C25H29N3O6S2 MolecularWeight: 531.64426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O6S2/c1-20-12-14-21(15-13-20)24(18-27-36(31,32)34-23-10-6-3-7-11-23)28-17-16-26-25(19-28)35(29,30)33-22-8-4-2-5-9-22/h2-15,24-27H,16-19H2,1H3