6-[[9-[[2-methoxy-4-(methylsulfonylamino)phenyl]amino]acridin-4-yl]carbonylamino]hexyl methanesulfonate

Systemtic Name: 6-[[9-[[2-methoxy-4-(methylsulfonylamino)phenyl]amino]acridin-4-yl]carbonylamino]hexyl methanesulfonate Openeye Name: 6-[[9-[4-(methanesulfonamido)-2-methoxy-anilino]acridine-4-carbonyl]amino]hexyl methanesulfonate CAS Name: methanesulfonic acid 6-[[[9-[4-(methanesulfonamido)-2-methoxyanilino]-4-acridinyl]-oxomethyl]amino]hexyl ester IUPAC Name: 6-[[9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carbonyl]amino]hexyl methanesulfonate Traditional Name: methanesulfonic acid 6-[[9-[4-(methanesulfonamido)-2-methoxy-anilino]acridine-4-carbonyl]amino]hexyl ester Formula: C29H34N4O7S2 MolecularWeight: 614.73286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)C(=O)NCCCCCCOS(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)C(=O)NCCCCCCOS(=O)(=O)C

InChI

InChI=1S/C29H34N4O7S2/c1-39-26-19-20(33-41(2,35)36)15-16-25(26)32-27-21-11-6-7-14-24(21)31-28-22(27)12-10-13-23(28)29(34)30-17-8-4-5-9-18-40-42(3,37)38/h6-7,10-16,19,33H,4-5,8-9,17-18H2,1-3H3,(H,30,34)(H,31,32)