phenyl 4-[2-(chloranylsulfonylamino)-5-propyl-phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(chloranylsulfonylamino)-5-propyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(chlorosulfonylamino)-5-propyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(chlorosulfonylamino)-5-propylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(chlorosulfonylamino)-5-propylphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(chlorosulfonylamino)-5-propyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C19H24ClN3O5S2 MolecularWeight: 473.99396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)Cl)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)Cl)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H24ClN3O5S2/c1-2-6-15-9-10-17(22-30(20,26)27)18(13-15)23-12-11-21-19(14-23)29(24,25)28-16-7-4-3-5-8-16/h3-5,7-10,13,19,21-22H,2,6,11-12,14H2,1H3