benzenesulfonic acid; 1-cyclopentyl-3-ethyl-6-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

Systemtic Name: benzenesulfonic acid; 1-cyclopentyl-3-ethyl-6-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one Openeye Name: benzenesulfonic acid; 1-cyclopentyl-3-ethyl-6-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one CAS Name: benzenesulfonic acid; 1-cyclopentyl-3-ethyl-6-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one IUPAC Name: benzenesulfonic acid; 1-cyclopentyl-3-ethyl-6-[(4-methoxyphenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one Traditional Name: besylic acid; 1-cyclopentyl-3-ethyl-6-p-anisyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one Formula: C27H33N3O5S MolecularWeight: 511.63302

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1CCN(C2=O)CC3=CC=C(C=C3)OC)C4CCCC4.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC1=NN(C2=C1CCN(C2=O)CC3=CC=C(C=C3)OC)C4CCCC4.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C21H27N3O2.C6H6O3S/c1-3-19-18-12-13-23(14-15-8-10-17(26-2)11-9-15)21(25)20(18)24(22-19)16-6-4-5-7-16;7-10(8,9)6-4-2-1-3-5-6/h8-11,16H,3-7,12-14H2,1-2H3;1-5H,(H,7,8,9)