ethyl 2-[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 2-[[2-[4-(1-azepanylsulfonyl)anilino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]amino]benzoic acid ethyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29N3O5S/c1-2-31-23(28)20-9-5-6-10-21(20)25-22(27)17-24-18-11-13-19(14-12-18)32(29,30)26-15-7-3-4-8-16-26/h5-6,9-14,24H,2-4,7-8,15-17H2,1H3,(H,25,27)