[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 1-azanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 1-azanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 1-amino-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-amino-9,10-dioxo-2-anthracenecarboxylic acid [2-[3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-amino-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-9,10-diketo-anthracene-2-carboxylic acid [2-keto-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C27H23N3O8S MolecularWeight: 549.55182

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)N

InChI

InChI=1S/C27H23N3O8S/c28-24-21(9-8-20-23(24)26(33)19-7-2-1-6-18(19)25(20)32)27(34)38-15-22(31)29-16-4-3-5-17(14-16)39(35,36)30-10-12-37-13-11-30/h1-9,14H,10-13,15,28H2,(H,29,31)