methanesulfonic acid; 8-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-3-methyl-2-phenyl-chromen-4-one

Systemtic Name: methanesulfonic acid; 8-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-3-methyl-2-phenyl-chromen-4-one Openeye Name: methanesulfonic acid; 8-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-3-methyl-2-phenyl-chromen-4-one CAS Name: methanesulfonic acid; 8-[5-[4-(2-methoxyphenyl)-1-piperazinyl]pentyl]-3-methyl-2-phenyl-1-benzopyran-4-one IUPAC Name: methanesulfonic acid; 8-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-3-methyl-2-phenylchromen-4-one Traditional Name: mesylic acid; 8-[5-[4-(2-methoxyphenyl)piperazino]pentyl]-3-methyl-2-phenyl-chromone Formula: C33H40N2O6S MolecularWeight: 592.7455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2CCCCCN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC=C5.CS(=O)(=O)O

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2CCCCCN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC=C5.CS(=O)(=O)O

InChI

InChI=1S/C32H36N2O3.CH4O3S/c1-24-30(35)27-16-11-15-26(32(27)37-31(24)25-12-5-3-6-13-25)14-7-4-10-19-33-20-22-34(23-21-33)28-17-8-9-18-29(28)36-2;1-5(2,3)4/h3,5-6,8-9,11-13,15-18H,4,7,10,14,19-23H2,1-2H3;1H3,(H,2,3,4)