3-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-N,N-diethyl-benzamide

Systemtic Name: 3-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-N,N-diethyl-benzamide Openeye Name: 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-N,N-diethyl-benzamide CAS Name: 3-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-N,N-diethyl-benzamide Formula: C24H31N3O4S MolecularWeight: 457.58564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S/c1-3-26(4-2)24(29)20-12-9-13-21(17-20)25-23(28)19-11-10-14-22(18-19)32(30,31)27-15-7-5-6-8-16-27/h9-14,17-18H,3-8,15-16H2,1-2H3,(H,25,28)