(2-aminocarbonyl-5-methoxy-phenyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: (2-aminocarbonyl-5-methoxy-phenyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (2-carbamoyl-5-methoxy-phenyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid (2-carbamoyl-5-methoxyphenyl) ester IUPAC Name: (2-carbamoyl-5-methoxyphenyl) 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (2-carbamoyl-5-methoxy-phenyl) ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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