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

Systemtic Name: (1-aminocarbonylacridin-9-yl)-[4-(hexylsulfonylamino)-2-methoxy-phenyl]azanium chloride Openeye Name: (1-carbamoylacridin-9-yl)-[4-(hexylsulfonylamino)-2-methoxy-phenyl]ammonium chloride CAS Name: (1-carbamoyl-9-acridinyl)-[4-(hexylsulfonylamino)-2-methoxyphenyl]ammonium chloride IUPAC Name: (1-carbamoylacridin-9-yl)-[4-(hexylsulfonylamino)-2-methoxyphenyl]azanium chloride Traditional Name: (1-carbamoylacridin-9-yl)-[4-(hexylsulfonylamino)-2-methoxy-phenyl]ammonium chloride Formula: C27H31ClN4O4S MolecularWeight: 543.07744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O4S.ClH/c1-3-4-5-8-16-36(33,34)31-18-14-15-22(24(17-18)35-2)30-26-19-10-6-7-12-21(19)29-23-13-9-11-20(25(23)26)27(28)32;/h6-7,9-15,17,31H,3-5,8,16H2,1-2H3,(H2,28,32)(H,29,30);1H