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

Systemtic Name: phenyl 4-[1-(4-ethylphenyl)-2-[(phenylmethyl)amino]ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(benzylamino)-1-(4-ethylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[1-(4-ethylphenyl)-2-[(phenylmethyl)amino]ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzylamino)-1-(4-ethylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(benzylamino)-1-(4-ethylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNCC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNCC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3S/c1-2-22-13-15-24(16-14-22)26(20-28-19-23-9-5-3-6-10-23)30-18-17-29-27(21-30)34(31,32)33-25-11-7-4-8-12-25/h3-16,26-29H,2,17-21H2,1H3