[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methylbenzenesulfinate

Systemtic Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methylbenzenesulfinate Openeye Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid [2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid [2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl] ester Formula: C20H24N2O4S MolecularWeight: 388.48056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H24N2O4S/c1-16-3-9-19(10-4-16)27(24)26-15-20(23)22-13-11-21(12-14-22)17-5-7-18(25-2)8-6-17/h3-10H,11-15H2,1-2H3