[(Z)-[azanyl-[(3-methylphenoxy)-propoxy-amino]methylidene]amino] isoquinoline-5-sulfonate

Systemtic Name: [(Z)-[azanyl-[(3-methylphenoxy)-propoxy-amino]methylidene]amino] isoquinoline-5-sulfonate Openeye Name: [(Z)-[amino-[(3-methylphenoxy)-propoxy-amino]methylene]amino] isoquinoline-5-sulfonate CAS Name: 5-isoquinolinesulfonic acid [(Z)-[amino-[(3-methylphenoxy)-propoxyamino]methylidene]amino] ester IUPAC Name: [(Z)-[amino-[(3-methylphenoxy)-propoxyamino]methylidene]amino] isoquinoline-5-sulfonate Traditional Name: isoquinoline-5-sulfonic acid [(Z)-[amino-[(3-methylphenoxy)-propoxy-amino]methylene]amino] ester Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CCCON(C(=NOS(=O)(=O)C1=CC=CC2=C1C=CN=C2)N)OC3=CC=CC(=C3)C

Isomeric SMILES

CCCON(/C(=N\OS(=O)(=O)C1=CC=CC2=C1C=CN=C2)/N)OC3=CC=CC(=C3)C

InChI

InChI=1S/C20H22N4O5S/c1-3-12-27-24(28-17-8-4-6-15(2)13-17)20(21)23-29-30(25,26)19-9-5-7-16-14-22-11-10-18(16)19/h4-11,13-14H,3,12H2,1-2H3,(H2,21,23)