methyl 5-[[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C23H27ClN2O6S MolecularWeight: 494.98828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)C(=O)OC

InChI

InChI=1S/C23H27ClN2O6S/c1-31-20-10-7-16(13-18(20)23(28)32-2)15-25-22(27)17-8-9-19(24)21(14-17)33(29,30)26-11-5-3-4-6-12-26/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,25,27)