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

Systemtic Name: phenyl 4-[1-(4-phenoxysulfonylphenyl)-2-[(phenylmethyl)amino]ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(benzylamino)-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[1-(4-phenoxysulfonylphenyl)-2-[(phenylmethyl)amino]ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzylamino)-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(benzylamino)-1-(4-phenoxysulfonylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C31H33N3O6S2 MolecularWeight: 607.74022

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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)S(=O)(=O)OC5=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)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C31H33N3O6S2/c35-41(36,39-27-12-6-2-7-13-27)29-18-16-26(17-19-29)30(23-32-22-25-10-4-1-5-11-25)34-21-20-33-31(24-34)42(37,38)40-28-14-8-3-9-15-28/h1-19,30-33H,20-24H2