N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-(4-tosyl-1,4-diazepan-1-yl)acetamide Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=NOC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C18H24N4O4S/c1-14-4-6-16(7-5-14)27(24,25)22-9-3-8-21(10-11-22)13-18(23)19-17-12-15(2)26-20-17/h4-7,12H,3,8-11,13H2,1-2H3,(H,19,20,23)