[8-methoxy-5-(pyridin-4-ylcarbamoyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-3-yl]methanesulfonate

Systemtic Name: [8-methoxy-5-(pyridin-4-ylcarbamoyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-3-yl]methanesulfonate Openeye Name: [8-methoxy-5-(4-pyridylcarbamoyl)spiro[chromane-2,1'-cyclopentane]-3-yl]methanesulfonate CAS Name: [8-methoxy-5-[oxo-(pyridin-4-ylamino)methyl]-3-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclopentane]yl]methanesulfonate IUPAC Name: [8-methoxy-5-(pyridin-4-ylcarbamoyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-3-yl]methanesulfonate Traditional Name: [8-methoxy-5-(4-pyridylcarbamoyl)spiro[chroman-2,1'-cyclopentane]-3-yl]methanesulfonate Formula: C21H23N2O6S- MolecularWeight: 431.48212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C(=O)NC3=CC=NC=C3)CC(C4(O2)CCCC4)CS(=O)(=O)[O-]

Isomeric SMILES

COC1=C2C(=C(C=C1)C(=O)NC3=CC=NC=C3)CC(C4(O2)CCCC4)CS(=O)(=O)[O-]

InChI

InChI=1S/C21H24N2O6S/c1-28-18-5-4-16(20(24)23-15-6-10-22-11-7-15)17-12-14(13-30(25,26)27)21(29-19(17)18)8-2-3-9-21/h4-7,10-11,14H,2-3,8-9,12-13H2,1H3,(H,22,23,24)(H,25,26,27)/p-1