[2-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[(9,10-dioxo-2-anthryl)amino]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[(9,10-dioxo-2-anthracenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-[(9,10-diketo-2-anthryl)amino]-2-keto-ethyl] ester Formula: C23H22N2O7S MolecularWeight: 470.49498

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H22N2O7S/c1-33(30,31)25-10-8-14(9-11-25)23(29)32-13-20(26)24-15-6-7-18-19(12-15)22(28)17-5-3-2-4-16(17)21(18)27/h2-7,12,14H,8-11,13H2,1H3,(H,24,26)