N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-nitro-isoquinolin-5-amine

Systemtic Name: N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-nitro-isoquinolin-5-amine Openeye Name: N-[(2-morpholinosulfonylphenyl)methyl]-8-nitro-isoquinolin-5-amine CAS Name: N-[[2-(4-morpholinylsulfonyl)phenyl]methyl]-8-nitro-5-isoquinolinamine IUPAC Name: N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-nitroisoquinolin-5-amine Traditional Name: (2-morpholinosulfonylbenzyl)-(8-nitro-5-isoquinolyl)amine Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC=C2CNC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC=C2CNC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c25-24(26)19-6-5-18(16-7-8-21-14-17(16)19)22-13-15-3-1-2-4-20(15)30(27,28)23-9-11-29-12-10-23/h1-8,14,22H,9-13H2