methyl 4-[[9,10-bis(oxidanylidene)anthracen-1-yl]sulfonylamino]butanoate

Systemtic Name: methyl 4-[[9,10-bis(oxidanylidene)anthracen-1-yl]sulfonylamino]butanoate Openeye Name: methyl 4-[(9,10-dioxo-1-anthryl)sulfonylamino]butanoate CAS Name: 4-[(9,10-dioxo-1-anthracenyl)sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl 4-[(9,10-dioxoanthracen-1-yl)sulfonylamino]butanoate Traditional Name: 4-[(9,10-diketo-1-anthryl)sulfonylamino]butyric acid methyl ester Formula: C19H17NO6S MolecularWeight: 387.40638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNS(=O)(=O)C1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)CCCNS(=O)(=O)C1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H17NO6S/c1-26-16(21)10-5-11-20-27(24,25)15-9-4-8-14-17(15)19(23)13-7-3-2-6-12(13)18(14)22/h2-4,6-9,20H,5,10-11H2,1H3