methanesulfonic acid; O1-methyl O4-[3-(1-piperidin-1-ylcyclohexyl)phenyl] (E)-but-2-enedioate

Systemtic Name: methanesulfonic acid; O1-methyl O4-[3-(1-piperidin-1-ylcyclohexyl)phenyl] (E)-but-2-enedioate Openeye Name: methanesulfonic acid; O1-methyl O4-[3-[1-(1-piperidyl)cyclohexyl]phenyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-methyl ester O4-[3-[1-(1-piperidinyl)cyclohexyl]phenyl] ester; methanesulfonic acid IUPAC Name: methanesulfonic acid; 1-O-methyl 4-O-[3-(1-piperidin-1-ylcyclohexyl)phenyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-methyl ester O4-[3-(1-piperidinocyclohexyl)phenyl] ester; mesylic acid Formula: C23H33NO7S MolecularWeight: 467.57562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)OC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3.CS(=O)(=O)O

Isomeric SMILES

COC(=O)/C=C/C(=O)OC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3.CS(=O)(=O)O

InChI

InChI=1S/C22H29NO4.CH4O3S/c1-26-20(24)11-12-21(25)27-19-10-8-9-18(17-19)22(13-4-2-5-14-22)23-15-6-3-7-16-23;1-5(2,3)4/h8-12,17H,2-7,13-16H2,1H3;1H3,(H,2,3,4)/b12-11+;