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

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

Isomeric SMILES

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

InChI

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