N-[9-[[4-(butylsulfonylamino)-2-methoxy-phenyl]amino]acridin-10-ium-3-yl]ethanamide dichloride

Systemtic Name: N-[9-[[4-(butylsulfonylamino)-2-methoxy-phenyl]amino]acridin-10-ium-3-yl]ethanamide dichloride Openeye Name: N-[9-[4-(butylsulfonylamino)-2-methoxy-anilino]acridin-10-ium-3-yl]acetamide dichloride CAS Name: N-[9-[4-(butylsulfonylamino)-2-methoxyanilino]-3-acridin-10-iumyl]acetamide dichloride IUPAC Name: N-[9-[4-(butylsulfonylamino)-2-methoxyanilino]acridin-10-ium-3-yl]acetamide dichloride Traditional Name: N-[9-[4-(butylsulfonylamino)-2-methoxy-anilino]acridin-10-ium-3-yl]acetamide dichloride Formula: C26H29Cl2N4O4S- MolecularWeight: 564.50386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=[NH+]C4=CC=CC=C42)NC(=O)C)OC.[Cl-].[Cl-]

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=[NH+]C4=CC=CC=C42)NC(=O)C)OC.[Cl-].[Cl-]

InChI

InChI=1S/C26H28N4O4S.2ClH/c1-4-5-14-35(32,33)30-19-11-13-23(25(16-19)34-3)29-26-20-8-6-7-9-22(20)28-24-15-18(27-17(2)31)10-12-21(24)26;;/h6-13,15-16,30H,4-5,14H2,1-3H3,(H,27,31)(H,28,29);2*1H/p-1