methanesulfonic acid; 8-methoxy-N-pyridin-4-yl-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-5-carboxamide

Systemtic Name: methanesulfonic acid; 8-methoxy-N-pyridin-4-yl-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-5-carboxamide Openeye Name: methanesulfonic acid; 8-methoxy-N-(4-pyridyl)spiro[chromane-2,1'-cyclopentane]-5-carboxamide CAS Name: methanesulfonic acid; 8-methoxy-N-pyridin-4-yl-5-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclopentane]carboxamide IUPAC Name: methanesulfonic acid; 8-methoxy-N-pyridin-4-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-5-carboxamide Traditional Name: mesylic acid; 8-methoxy-N-(4-pyridyl)spiro[chroman-2,1'-cyclopentane]-5-carboxamide Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C(=O)NC3=CC=NC=C3)CCC4(O2)CCCC4.CS(=O)(=O)O

Isomeric SMILES

COC1=C2C(=C(C=C1)C(=O)NC3=CC=NC=C3)CCC4(O2)CCCC4.CS(=O)(=O)O

InChI

InChI=1S/C20H22N2O3.CH4O3S/c1-24-17-5-4-16(19(23)22-14-7-12-21-13-8-14)15-6-11-20(25-18(15)17)9-2-3-10-20;1-5(2,3)4/h4-5,7-8,12-13H,2-3,6,9-11H2,1H3,(H,21,22,23);1H3,(H,2,3,4)