methyl 4-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonyl-methyl-amino]butanoate

Systemtic Name: methyl 4-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonyl-methyl-amino]butanoate Openeye Name: methyl 4-[(9,10-dioxo-2-anthryl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(9,10-dioxo-2-anthracenyl)sulfonyl-methylamino]butanoic acid methyl ester IUPAC Name: methyl 4-[(9,10-dioxoanthracen-2-yl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(9,10-diketo-2-anthryl)sulfonyl-methyl-amino]butyric acid methyl ester Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)OC)S(=O)(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CN(CCCC(=O)OC)S(=O)(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H19NO6S/c1-21(11-5-8-18(22)27-2)28(25,26)13-9-10-16-17(12-13)20(24)15-7-4-3-6-14(15)19(16)23/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3