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

Systemtic Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]carbonylamino]-3-chloranyl-benzoate Openeye Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]amino]-3-chloro-benzoate CAS Name: 4-[[[5-(1-azepanylsulfonyl)-2-methylphenyl]-oxomethyl]amino]-3-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)-2-methylbenzoyl]amino]-3-chlorobenzoate Traditional Name: 4-[[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]amino]-3-chloro-benzoic acid ethyl ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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