ethyl 4-[[5-(azepan-1-ylsulfonyl)-2-oxidanyl-phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)-2-oxidanyl-phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)-2-hydroxy-benzoyl]amino]benzoate CAS Name: 4-[[[5-(1-azepanylsulfonyl)-2-hydroxyphenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)-2-hydroxybenzoyl]amino]benzoate Traditional Name: 4-[[5-(azepan-1-ylsulfonyl)-2-hydroxy-benzoyl]amino]benzoic acid ethyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-2-30-22(27)16-7-9-17(10-8-16)23-21(26)19-15-18(11-12-20(19)25)31(28,29)24-13-5-3-4-6-14-24/h7-12,15,25H,2-6,13-14H2,1H3,(H,23,26)