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

Systemtic Name: phenyl 4-[2-[(phenylmethyl)amino]-1-(4-phenylphenyl)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(benzylamino)-1-(4-phenylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-[(phenylmethyl)amino]-1-(4-phenylphenyl)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzylamino)-1-(4-phenylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(benzylamino)-1-(4-phenylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C31H33N3O3S MolecularWeight: 527.67702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C(CNCC3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C(CNCC3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H33N3O3S/c35-38(36,37-29-14-8-3-9-15-29)31-24-34(21-20-33-31)30(23-32-22-25-10-4-1-5-11-25)28-18-16-27(17-19-28)26-12-6-2-7-13-26/h1-19,30-33H,20-24H2