3-[4-[(heptan-2-ylamino)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]-N-(2-methoxyphenyl)benzenesulfonamide

Systemtic Name: 3-[4-[(heptan-2-ylamino)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]-N-(2-methoxyphenyl)benzenesulfonamide Openeye Name: N-(2-methoxyphenyl)-3-[4-[(1-methylhexylamino)methylene]-1,3-dioxo-2-isoquinolyl]benzenesulfonamide CAS Name: 3-[4-[(heptan-2-ylamino)methylidene]-1,3-dioxo-2-isoquinolinyl]-N-(2-methoxyphenyl)benzenesulfonamide IUPAC Name: 3-[4-[(heptan-2-ylamino)methylidene]-1,3-dioxoisoquinolin-2-yl]-N-(2-methoxyphenyl)benzenesulfonamide Traditional Name: 3-[1,3-diketo-4-[(1-methylhexylamino)methylene]-2-isoquinolyl]-N-(2-methoxyphenyl)benzenesulfonamide Formula: C30H33N3O5S MolecularWeight: 547.66512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC=C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CCCCCC(C)NC=C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C30H33N3O5S/c1-4-5-6-12-21(2)31-20-26-24-15-7-8-16-25(24)29(34)33(30(26)35)22-13-11-14-23(19-22)39(36,37)32-27-17-9-10-18-28(27)38-3/h7-11,13-21,31-32H,4-6,12H2,1-3H3