methyl 4,5-dimethoxy-2-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[3-(1-piperidylsulfonyl)benzoyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[(3-piperidinosulfonylbenzoyl)amino]benzoic acid methyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C22H26N2O7S/c1-29-19-13-17(22(26)31-3)18(14-20(19)30-2)23-21(25)15-8-7-9-16(12-15)32(27,28)24-10-5-4-6-11-24/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,23,25)