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

Systemtic Name: [(2S)-1-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-[(9,10-dioxo-2-anthryl)amino]-1-methyl-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [(2S)-1-[(9,10-dioxo-2-anthracenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [(1S)-2-[(9,10-diketo-2-anthryl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H24N2O7S MolecularWeight: 484.52156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OC(=O)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OC(=O)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C24H24N2O7S/c1-14(33-24(30)15-9-11-26(12-10-15)34(2,31)32)23(29)25-16-7-8-19-20(13-16)22(28)18-6-4-3-5-17(18)21(19)27/h3-8,13-15H,9-12H2,1-2H3,(H,25,29)/t14-/m0/s1