4-[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 4-[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[4-(1-azepanylsulfonyl)anilino]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]amino]-N-methyl-benzamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N4O4S/c1-23-22(28)17-6-8-19(9-7-17)25-21(27)16-24-18-10-12-20(13-11-18)31(29,30)26-14-4-2-3-5-15-26/h6-13,24H,2-5,14-16H2,1H3,(H,23,28)(H,25,27)