phenyl 4-[2-(ethoxysulfonylamino)-5-(phenylmethyl)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(ethoxysulfonylamino)-5-(phenylmethyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-benzyl-2-(ethoxysulfonylamino)phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(ethoxysulfonylamino)-5-(phenylmethyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-benzyl-2-(ethoxysulfonylamino)phenyl]piperazine-2-sulfonate Traditional Name: 4-[5-benzyl-2-(ethoxysulfonylamino)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C25H29N3O6S2 MolecularWeight: 531.64426

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O6S2/c1-2-33-36(31,32)27-23-14-13-21(17-20-9-5-3-6-10-20)18-24(23)28-16-15-26-25(19-28)35(29,30)34-22-11-7-4-8-12-22/h3-14,18,25-27H,2,15-17,19H2,1H3