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

Systemtic Name: ethyl 2-[[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]carbonylamino]benzoate Openeye Name: ethyl 2-[[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]amino]benzoate CAS Name: 2-[[[5-(1-azepanylsulfonyl)-2-methylphenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[5-(azepan-1-ylsulfonyl)-2-methylbenzoyl]amino]benzoate Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]amino]benzoic acid ethyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C23H28N2O5S/c1-3-30-23(27)19-10-6-7-11-21(19)24-22(26)20-16-18(13-12-17(20)2)31(28,29)25-14-8-4-5-9-15-25/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,24,26)