2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(5-methylisoxazol-3-yl)-2-phenyl-acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-(5-methyl-3-isoxazolyl)-2-phenylacetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-(5-methylisoxazol-3-yl)-2-phenyl-acetamide Formula: C22H31N5O4S MolecularWeight: 461.57764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H31N5O4S/c1-18-17-20(24-31-18)23-22(28)21(19-9-5-4-6-10-19)25-13-15-27(16-14-25)32(29,30)26-11-7-2-3-8-12-26/h4-6,9-10,17,21H,2-3,7-8,11-16H2,1H3,(H,23,24,28)