N-[(E)-isoquinolin-4-ylmethylideneamino]-N,2-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[(E)-isoquinolin-4-ylmethylideneamino]-N,2-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[(E)-4-isoquinolylmethyleneamino]-N,2-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[(E)-4-isoquinolinylmethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[(E)-isoquinolin-4-ylmethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-[(E)-4-isoquinolylmethyleneamino]-N,2-dimethyl-5-nitro-benzenesulfonamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)N=CC2=CN=CC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)/N=C/C2=CN=CC3=CC=CC=C32

InChI

InChI=1S/C18H16N4O4S/c1-13-7-8-16(22(23)24)9-18(13)27(25,26)21(2)20-12-15-11-19-10-14-5-3-4-6-17(14)15/h3-12H,1-2H3/b20-12+