4-[4,9-bis(oxidanylidene)pyrrolo[3,4-g]isoquinolin-2-yl]butyl methanesulfonate

Systemtic Name: 4-[4,9-bis(oxidanylidene)pyrrolo[3,4-g]isoquinolin-2-yl]butyl methanesulfonate Openeye Name: 4-(4,9-dioxopyrrolo[3,4-g]isoquinolin-2-yl)butyl methanesulfonate CAS Name: methanesulfonic acid 4-(4,9-dioxo-2-pyrrolo[3,4-g]isoquinolinyl)butyl ester IUPAC Name: 4-(4,9-dioxopyrrolo[3,4-g]isoquinolin-2-yl)butyl methanesulfonate Traditional Name: methanesulfonic acid 4-(4,9-diketopyrrol[3,4-g]isoquinolin-2-yl)butyl ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCN1C=C2C(=C1)C(=O)C3=C(C2=O)C=CN=C3

Isomeric SMILES

CS(=O)(=O)OCCCCN1C=C2C(=C1)C(=O)C3=C(C2=O)C=CN=C3

InChI

InChI=1S/C16H16N2O5S/c1-24(21,22)23-7-3-2-6-18-9-13-14(10-18)16(20)12-8-17-5-4-11(12)15(13)19/h4-5,8-10H,2-3,6-7H2,1H3