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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H31N5O4S/c1-18-6-8-19(9-7-18)20-16-22(31-24-20)23-21(28)17-25-12-14-27(15-13-25)32(29,30)26-10-4-2-3-5-11-26/h6-9,16H,2-5,10-15,17H2,1H3,(H,23,28)