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

Systemtic Name: ethyl 4-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]benzoate CAS Name: 4-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]benzoate Traditional Name: 4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]benzoic acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-2-29-22(26)18-7-11-19(12-8-18)23-21(25)17-9-13-20(14-10-17)30(27,28)24-15-5-3-4-6-16-24/h7-14H,2-6,15-16H2,1H3,(H,23,25)