ethyl 3-[2-[4-(azepan-1-ylsulfonyl)imidazol-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[4-(azepan-1-ylsulfonyl)imidazol-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[4-(azepan-1-ylsulfonyl)imidazol-1-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[4-(1-azepanylsulfonyl)-1-imidazolyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(azepan-1-ylsulfonyl)imidazol-1-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[4-(azepan-1-ylsulfonyl)imidazol-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H26N4O5S/c1-2-29-20(26)16-8-7-9-17(12-16)22-18(25)13-23-14-19(21-15-23)30(27,28)24-10-5-3-4-6-11-24/h7-9,12,14-15H,2-6,10-11,13H2,1H3,(H,22,25)