2-[3-[[4-acetamido-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-4-methoxy-phenyl]sulfonylethyl ethanoate

Systemtic Name: 2-[3-[[4-acetamido-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-4-methoxy-phenyl]sulfonylethyl ethanoate Openeye Name: 2-[3-[(4-acetamido-9,10-dioxo-1-anthryl)amino]-4-methoxy-phenyl]sulfonylethyl acetate CAS Name: acetic acid 2-[3-[(4-acetamido-9,10-dioxo-1-anthracenyl)amino]-4-methoxyphenyl]sulfonylethyl ester IUPAC Name: 2-[3-[(4-acetamido-9,10-dioxoanthracen-1-yl)amino]-4-methoxyphenyl]sulfonylethyl acetate Traditional Name: acetic acid 2-[3-[(4-acetamido-9,10-diketo-1-anthryl)amino]-4-methoxy-phenyl]sulfonylethyl ester Formula: C27H24N2O8S MolecularWeight: 536.55306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=C(C=C1)NC3=C(C=CC(=C3)S(=O)(=O)CCOC(=O)C)OC)C(=O)C4=CC=CC=C4C2=O

Isomeric SMILES

CC(=O)NC1=C2C(=C(C=C1)NC3=C(C=CC(=C3)S(=O)(=O)CCOC(=O)C)OC)C(=O)C4=CC=CC=C4C2=O

InChI

InChI=1S/C27H24N2O8S/c1-15(30)28-20-9-10-21(25-24(20)26(32)18-6-4-5-7-19(18)27(25)33)29-22-14-17(8-11-23(22)36-3)38(34,35)13-12-37-16(2)31/h4-11,14,29H,12-13H2,1-3H3,(H,28,30)