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

Systemtic Name: methyl 4-[[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[3-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate CAS Name: 4-[[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoate Traditional Name: 4-[[[3-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzoic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-29-22(26)18-11-9-17(10-12-18)16-23-21(25)19-7-6-8-20(15-19)30(27,28)24-13-4-2-3-5-14-24/h6-12,15H,2-5,13-14,16H2,1H3,(H,23,25)