methyl 2-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]benzoate Openeye Name: methyl 2-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]benzoate CAS Name: 2-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]benzoate Traditional Name: 2-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]benzoic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H23ClN2O5S/c1-29-21(26)16-8-4-5-9-18(16)23-20(25)15-10-11-17(22)19(14-15)30(27,28)24-12-6-2-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,23,25)