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

Systemtic Name: methanesulfonic acid; 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-2-phenyl-chromen-4-one Openeye Name: methanesulfonic acid; 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-2-phenyl-chromen-4-one CAS Name: methanesulfonic acid; 8-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-3-methyl-2-phenyl-1-benzopyran-4-one IUPAC Name: methanesulfonic acid; 8-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-2-phenylchromen-4-one Traditional Name: mesylic acid; 8-[4-[4-(2-methoxyphenyl)piperazino]butyl]-3-methyl-2-phenyl-chromone Formula: C32H38N2O6S MolecularWeight: 578.71892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2CCCCN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC=C5.CS(=O)(=O)O

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2CCCCN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC=C5.CS(=O)(=O)O

InChI

InChI=1S/C31H34N2O3.CH4O3S/c1-23-29(34)26-15-10-14-25(31(26)36-30(23)24-11-4-3-5-12-24)13-8-9-18-32-19-21-33(22-20-32)27-16-6-7-17-28(27)35-2;1-5(2,3)4/h3-7,10-12,14-17H,8-9,13,18-22H2,1-2H3;1H3,(H,2,3,4)