dimethyl 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C24H28N2O8S MolecularWeight: 504.55272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C24H28N2O8S/c1-32-21-11-9-17(35(30,31)26-12-6-4-5-7-13-26)15-19(21)22(27)25-20-14-16(23(28)33-2)8-10-18(20)24(29)34-3/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,25,27)