phenyl 4-[2-(ethoxyamino)-1-[3-(phenylsulfonyl)piperazin-1-yl]ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[2-(ethoxyamino)-1-[3-(phenylsulfonyl)piperazin-1-yl]ethyl]benzenesulfonate Openeye Name: phenyl 4-[1-[3-(benzenesulfonyl)piperazin-1-yl]-2-(ethoxyamino)ethyl]benzenesulfonate CAS Name: 4-[1-[3-(benzenesulfonyl)-1-piperazinyl]-2-(ethoxyamino)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-[3-(benzenesulfonyl)piperazin-1-yl]-2-(ethoxyamino)ethyl]benzenesulfonate Traditional Name: 4-[1-(3-besylpiperazino)-2-(ethoxyamino)ethyl]benzenesulfonic acid phenyl ester Formula: C26H31N3O6S2 MolecularWeight: 545.67084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCONCC(C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCONCC(C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O6S2/c1-2-34-28-19-25(29-18-17-27-26(20-29)36(30,31)23-11-7-4-8-12-23)21-13-15-24(16-14-21)37(32,33)35-22-9-5-3-6-10-22/h3-16,25-28H,2,17-20H2,1H3