cyclohexanone; N-(4-methylphenyl)sulfonyl-N-[1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]acridine-1-carboxamide

Systemtic Name: cyclohexanone; N-(4-methylphenyl)sulfonyl-N-[1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]acridine-1-carboxamide Openeye Name: cyclohexanone; N-(1-hydroxy-2,5-dioxo-pyrrolidin-1-ium-1-yl)-N-(p-tolylsulfonyl)acridine-1-carboxamide CAS Name: cyclohexanone; N-(1-hydroxy-2,5-dioxo-1-pyrrolidin-1-iumyl)-N-(4-methylphenyl)sulfonyl-1-acridinecarboxamide IUPAC Name: cyclohexanone; N-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl)-N-(4-methylphenyl)sulfonylacridine-1-carboxamide Traditional Name: cyclohexanone; N-(1-hydroxy-2,5-diketo-pyrrolidin-1-ium-1-yl)-N-tosyl-acridine-1-carboxamide Formula: C31H30N3O7S+ MolecularWeight: 588.6508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(=O)C2=CC=CC3=NC4=CC=CC=C4C=C32)[N+]5(C(=O)CCC5=O)O.C1CCC(=O)CC1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(=O)C2=CC=CC3=NC4=CC=CC=C4C=C32)[N+]5(C(=O)CCC5=O)O.C1CCC(=O)CC1

InChI

InChI=1S/C25H20N3O6S.C6H10O/c1-16-9-11-18(12-10-16)35(33,34)27(28(32)23(29)13-14-24(28)30)25(31)19-6-4-8-22-20(19)15-17-5-2-3-7-21(17)26-22;7-6-4-2-1-3-5-6/h2-12,15,32H,13-14H2,1H3;1-5H2/q+1;