N-[2-[2-[(3-nitrophenyl)methoxy]ethylamino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[2-[(3-nitrophenyl)methoxy]ethylamino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[2-[(3-nitrophenyl)methoxy]ethylamino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[2-[(3-nitrophenyl)methoxy]ethylamino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[2-[(3-nitrophenyl)methoxy]ethylamino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[2-(3-nitrobenzyl)oxyethylamino]ethyl]isoquinoline-5-sulfonamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])COCCNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])COCCNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H22N4O5S/c25-24(26)18-5-1-3-16(13-18)15-29-12-11-21-9-10-23-30(27,28)20-6-2-4-17-14-22-8-7-19(17)20/h1-8,13-14,21,23H,9-12,15H2