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

Systemtic Name: methyl 4-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[5-(azepan-1-ylsulfonyl)-2-chloro-benzoyl]amino]benzoate CAS Name: 4-[[[5-(1-azepanylsulfonyl)-2-chlorophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(azepan-1-ylsulfonyl)-2-chlorobenzoyl]amino]benzoate Traditional Name: 4-[[5-(azepan-1-ylsulfonyl)-2-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=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5S/c1-29-21(26)15-6-8-16(9-7-15)23-20(25)18-14-17(10-11-19(18)22)30(27,28)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13H2,1H3,(H,23,25)