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

Systemtic Name: methyl 2-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonyl-methyl-amino]benzoate Openeye Name: methyl 2-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-methyl-amino]benzoate CAS Name: 2-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]-methylamino]benzoate Traditional Name: 2-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-methyl-amino]benzoic acid methyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H25ClN2O5S/c1-24(19-10-6-5-9-17(19)22(27)30-2)21(26)16-11-12-18(23)20(15-16)31(28,29)25-13-7-3-4-8-14-25/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3