methyl 4,5-dimethoxy-2-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[[4-[(4-methylsulfonyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate Traditional Name: 2-[[4-[(4-mesylpiperazino)methyl]benzoyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C23H29N3O7S MolecularWeight: 491.55726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C)OC

InChI

InChI=1S/C23H29N3O7S/c1-31-20-13-18(23(28)33-3)19(14-21(20)32-2)24-22(27)17-7-5-16(6-8-17)15-25-9-11-26(12-10-25)34(4,29)30/h5-8,13-14H,9-12,15H2,1-4H3,(H,24,27)