methyl 3-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]benzoate CAS Name: 3-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]benzoate Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]benzoic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H24N2O5S/c1-28-21(25)17-9-6-10-18(14-17)22-20(24)16-8-7-11-19(15-16)29(26,27)23-12-4-2-3-5-13-23/h6-11,14-15H,2-5,12-13H2,1H3,(H,22,24)