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

Systemtic Name: methyl 4-[[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]methyl]benzoate CAS Name: 4-[[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]methyl]benzoate Traditional Name: 4-[[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]methyl]benzoic acid methyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O5S/c1-30-22(27)17-8-6-16(7-9-17)15-24-21(26)18-10-11-19(23)20(14-18)31(28,29)25-12-4-2-3-5-13-25/h6-11,14H,2-5,12-13,15H2,1H3,(H,24,26)