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

Systemtic Name: ethyl 3-[[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-[[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]amino]benzoate CAS Name: 3-[[[5-(1-azepanylsulfonyl)-2-methylphenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(azepan-1-ylsulfonyl)-2-methylbenzoyl]amino]benzoate Traditional Name: 3-[[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=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-3-30-23(27)18-9-8-10-19(15-18)24-22(26)21-16-20(12-11-17(21)2)31(28,29)25-13-6-4-5-7-14-25/h8-12,15-16H,3-7,13-14H2,1-2H3,(H,24,26)