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

Systemtic Name: methanesulfonic acid; 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoyl]-3-methyl-2-phenyl-chromen-4-one Openeye Name: methanesulfonic acid; 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoyl]-3-methyl-2-phenyl-chromen-4-one CAS Name: methanesulfonic acid; 8-[4-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxobutyl]-3-methyl-2-phenyl-1-benzopyran-4-one IUPAC Name: methanesulfonic acid; 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoyl]-3-methyl-2-phenylchromen-4-one Traditional Name: mesylic acid; 8-[4-[4-(2-methoxyphenyl)piperazino]butanoyl]-3-methyl-2-phenyl-chromone Formula: C32H36N2O7S MolecularWeight: 592.70244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)CCCN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC=C5.CS(=O)(=O)O

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)CCCN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC=C5.CS(=O)(=O)O

InChI

InChI=1S/C31H32N2O4.CH4O3S/c1-22-29(35)25-13-8-12-24(31(25)37-30(22)23-10-4-3-5-11-23)27(34)15-9-17-32-18-20-33(21-19-32)26-14-6-7-16-28(26)36-2;1-5(2,3)4/h3-8,10-14,16H,9,15,17-21H2,1-2H3;1H3,(H,2,3,4)