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

Systemtic Name: phenyl 4-[1-(4-methylphenyl)-2-[(phenylmethyl)amino]ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(benzylamino)-1-(p-tolyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[1-(4-methylphenyl)-2-[(phenylmethyl)amino]ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzylamino)-1-(4-methylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(benzylamino)-1-(p-tolyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNCC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(CNCC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O3S/c1-21-12-14-23(15-13-21)25(19-27-18-22-8-4-2-5-9-22)29-17-16-28-26(20-29)33(30,31)32-24-10-6-3-7-11-24/h2-15,25-28H,16-20H2,1H3