methyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C23H28N2O7S MolecularWeight: 476.54262

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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)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C23H28N2O7S/c1-30-20-14-18(23(27)32-3)19(15-21(20)31-2)24-22(26)16-8-10-17(11-9-16)33(28,29)25-12-6-4-5-7-13-25/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,24,26)