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

Systemtic Name: methyl 4-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]benzoate CAS Name: 4-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]benzoate Traditional Name: 4-[[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=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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