ethyl 4-[4-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[9,10-bis(oxidanylidene)anthracen-1-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(9,10-dioxo-1-anthryl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[(9,10-dioxo-1-anthracenyl)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(9,10-dioxoanthracen-1-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(9,10-diketo-1-anthryl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C28H25N3O7S MolecularWeight: 547.579

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H25N3O7S/c1-2-38-28(35)30-14-16-31(17-15-30)39(36,37)19-12-10-18(11-13-19)27(34)29-23-9-5-8-22-24(23)26(33)21-7-4-3-6-20(21)25(22)32/h3-13H,2,14-17H2,1H3,(H,29,34)