(4-aminocarbonylacridin-9-yl)-[2-methoxy-4-(pentylsulfonylamino)phenyl]azanium chloride

Systemtic Name: (4-aminocarbonylacridin-9-yl)-[2-methoxy-4-(pentylsulfonylamino)phenyl]azanium chloride Openeye Name: (4-carbamoylacridin-9-yl)-[2-methoxy-4-(pentylsulfonylamino)phenyl]ammonium chloride CAS Name: (4-carbamoyl-9-acridinyl)-[2-methoxy-4-(pentylsulfonylamino)phenyl]ammonium chloride IUPAC Name: (4-carbamoylacridin-9-yl)-[2-methoxy-4-(pentylsulfonylamino)phenyl]azanium chloride Traditional Name: [4-(amylsulfonylamino)-2-methoxy-phenyl]-(4-carbamoylacridin-9-yl)ammonium chloride Formula: C26H29ClN4O4S MolecularWeight: 529.05086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC1=CC(=C(C=C1)[NH2+]C2=C3C=CC=C(C3=NC4=CC=CC=C42)C(=O)N)OC.[Cl-]

Isomeric SMILES

CCCCCS(=O)(=O)NC1=CC(=C(C=C1)[NH2+]C2=C3C=CC=C(C3=NC4=CC=CC=C42)C(=O)N)OC.[Cl-]

InChI

InChI=1S/C26H28N4O4S.ClH/c1-3-4-7-15-35(32,33)30-17-13-14-22(23(16-17)34-2)29-24-18-9-5-6-12-21(18)28-25-19(24)10-8-11-20(25)26(27)31;/h5-6,8-14,16,30H,3-4,7,15H2,1-2H3,(H2,27,31)(H,28,29);1H