methyl 2-[4,5-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-phenyl]ethanoate

Systemtic Name: methyl 2-[4,5-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-phenyl]ethanoate Openeye Name: methyl 2-[4,5-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-phenyl]acetate CAS Name: 2-[4,5-dimethoxy-2-[[4-(2-methoxyphenyl)-1-piperazinyl]sulfonyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4,5-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]acetate Traditional Name: 2-[4,5-dimethoxy-2-[4-(2-methoxyphenyl)piperazino]sulfonyl-phenyl]acetic acid methyl ester Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3CC(=O)OC)OC)OC

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3CC(=O)OC)OC)OC

InChI

InChI=1S/C22H28N2O7S/c1-28-18-8-6-5-7-17(18)23-9-11-24(12-10-23)32(26,27)21-15-20(30-3)19(29-2)13-16(21)14-22(25)31-4/h5-8,13,15H,9-12,14H2,1-4H3