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

Systemtic Name: ethyl 3-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]carbonylamino]-2-methyl-benzoate Openeye Name: ethyl 3-[[5-(azepan-1-ylsulfonyl)-2-chloro-benzoyl]amino]-2-methyl-benzoate CAS Name: 3-[[[5-(1-azepanylsulfonyl)-2-chlorophenyl]-oxomethyl]amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(azepan-1-ylsulfonyl)-2-chlorobenzoyl]amino]-2-methylbenzoate Traditional Name: 3-[[5-(azepan-1-ylsulfonyl)-2-chloro-benzoyl]amino]-2-methyl-benzoic acid ethyl ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN2O5S/c1-3-31-23(28)18-9-8-10-21(16(18)2)25-22(27)19-15-17(11-12-20(19)24)32(29,30)26-13-6-4-5-7-14-26/h8-12,15H,3-7,13-14H2,1-2H3,(H,25,27)