phenyl 4-(4-methoxy-2-methyl-phenyl)piperazine-2-sulfonate

Systemtic Name: phenyl 4-(4-methoxy-2-methyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(4-methoxy-2-methyl-phenyl)piperazine-2-sulfonate CAS Name: 4-(4-methoxy-2-methylphenyl)-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-methoxy-2-methylphenyl)piperazine-2-sulfonate Traditional Name: 4-(4-methoxy-2-methyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)OC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O4S/c1-14-12-16(23-2)8-9-17(14)20-11-10-19-18(13-20)25(21,22)24-15-6-4-3-5-7-15/h3-9,12,18-19H,10-11,13H2,1-2H3