[2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-4-oxidanylidene-chromen-3-yl] 3,5-dimethylbenzenesulfonate

Systemtic Name: [2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-4-oxidanylidene-chromen-3-yl] 3,5-dimethylbenzenesulfonate Openeye Name: [2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-4-oxo-chromen-3-yl] 3,5-dimethylbenzenesulfonate CAS Name: 3,5-dimethylbenzenesulfonic acid [2-[4-[4-(2-methoxyphenyl)-1-piperazinyl]phenyl]-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-4-oxochromen-3-yl] 3,5-dimethylbenzenesulfonate Traditional Name: 3,5-dimethylbenzenesulfonic acid [4-keto-2-[4-[4-(2-methoxyphenyl)piperazino]phenyl]chromen-3-yl] ester Formula: C34H32N2O6S MolecularWeight: 596.69268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)OC2=C(OC3=CC=CC=C3C2=O)C4=CC=C(C=C4)N5CCN(CC5)C6=CC=CC=C6OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)OC2=C(OC3=CC=CC=C3C2=O)C4=CC=C(C=C4)N5CCN(CC5)C6=CC=CC=C6OC)C

InChI

InChI=1S/C34H32N2O6S/c1-23-20-24(2)22-27(21-23)43(38,39)42-34-32(37)28-8-4-6-10-30(28)41-33(34)25-12-14-26(15-13-25)35-16-18-36(19-17-35)29-9-5-7-11-31(29)40-3/h4-15,20-22H,16-19H2,1-3H3