3-ethoxy-1-[2-(phenoxysulfonylsulfonylamino)-5-(phenylmethyl)phenyl]piperazine

Systemtic Name: 3-ethoxy-1-[2-(phenoxysulfonylsulfonylamino)-5-(phenylmethyl)phenyl]piperazine Openeye Name: 1-[5-benzyl-2-(phenoxysulfonylsulfonylamino)phenyl]-3-ethoxy-piperazine CAS Name: 3-ethoxy-1-[2-(phenoxysulfonylsulfonylamino)-5-(phenylmethyl)phenyl]piperazine IUPAC Name: 1-[5-benzyl-2-(phenoxysulfonylsulfonylamino)phenyl]-3-ethoxypiperazine Traditional Name: 1-[5-benzyl-2-(phenoxysulfonylsulfonylamino)phenyl]-3-ethoxy-piperazine Formula: C25H29N3O6S2 MolecularWeight: 531.64426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C2=C(C=CC(=C2)CC3=CC=CC=C3)NS(=O)(=O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCOC1CN(CCN1)C2=C(C=CC(=C2)CC3=CC=CC=C3)NS(=O)(=O)S(=O)(=O)OC4=CC=CC=C4

InChI

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