6-bromanyl-8-methoxy-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-chromen-2-one

Systemtic Name: 6-bromanyl-8-methoxy-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-chromen-2-one Openeye Name: 6-bromo-8-methoxy-3-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]chromen-2-one CAS Name: 6-bromo-8-methoxy-3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-8-methoxy-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]chromen-2-one Traditional Name: 6-bromo-8-methoxy-3-(4-tosylpiperazine-1-carbonyl)coumarin Formula: C22H21BrN2O6S MolecularWeight: 521.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC(=CC(=C4OC3=O)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC(=CC(=C4OC3=O)OC)Br

InChI

InChI=1S/C22H21BrN2O6S/c1-14-3-5-17(6-4-14)32(28,29)25-9-7-24(8-10-25)21(26)18-12-15-11-16(23)13-19(30-2)20(15)31-22(18)27/h3-6,11-13H,7-10H2,1-2H3