ethyl 4-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]amino]benzoate CAS Name: 4-[[[3-(1-azepanylsulfonyl)-4-methoxyphenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]amino]benzoate Traditional Name: 4-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]amino]benzoic acid ethyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S/c1-3-31-23(27)17-8-11-19(12-9-17)24-22(26)18-10-13-20(30-2)21(16-18)32(28,29)25-14-6-4-5-7-15-25/h8-13,16H,3-7,14-15H2,1-2H3,(H,24,26)