butyl N-[2-[4-[(7-nitro-1-oxidanylidene-3-propyl-isoquinolin-2-yl)methyl]phenyl]phenyl]sulfonylcarbamate

Systemtic Name: butyl N-[2-[4-[(7-nitro-1-oxidanylidene-3-propyl-isoquinolin-2-yl)methyl]phenyl]phenyl]sulfonylcarbamate Openeye Name: butyl N-[2-[4-[(7-nitro-1-oxo-3-propyl-2-isoquinolyl)methyl]phenyl]phenyl]sulfonylcarbamate CAS Name: N-[2-[4-[(7-nitro-1-oxo-3-propyl-2-isoquinolinyl)methyl]phenyl]phenyl]sulfonylcarbamic acid butyl ester IUPAC Name: butyl N-[2-[4-[(7-nitro-1-oxo-3-propylisoquinolin-2-yl)methyl]phenyl]phenyl]sulfonylcarbamate Traditional Name: N-[2-[4-[(1-keto-7-nitro-3-propyl-2-isoquinolyl)methyl]phenyl]phenyl]sulfonylcarbamic acid butyl ester Formula: C30H31N3O7S MolecularWeight: 577.64804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C(=CC4=C(C3=O)C=C(C=C4)[N+](=O)[O-])CCC

Isomeric SMILES

CCCCOC(=O)NS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C(=CC4=C(C3=O)C=C(C=C4)[N+](=O)[O-])CCC

InChI

InChI=1S/C30H31N3O7S/c1-3-5-17-40-30(35)31-41(38,39)28-10-7-6-9-26(28)22-13-11-21(12-14-22)20-32-24(8-4-2)18-23-15-16-25(33(36)37)19-27(23)29(32)34/h6-7,9-16,18-19H,3-5,8,17,20H2,1-2H3,(H,31,35)