methyl 1-[(5-oxidanylidene-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)sulfonyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(5-oxidanylidene-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)sulfonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)sulfonyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)sulfonyl]piperidine-4-carboxylate Traditional Name: 1-[(5-keto-6,11-dihydroinden[1,2-c]isoquinolin-9-yl)sulfonyl]isonipecotic acid methyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C5=CC=CC=C5C(=O)N4

Isomeric SMILES

COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C23H22N2O5S/c1-30-23(27)14-8-10-25(11-9-14)31(28,29)16-6-7-17-15(12-16)13-20-18-4-2-3-5-19(18)22(26)24-21(17)20/h2-7,12,14H,8-11,13H2,1H3,(H,24,26)