1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenylethenylsulfonyl)ethanone

Systemtic Name: 1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenylethenylsulfonyl)ethanone Openeye Name: 1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-styrylsulfonyl-ethanone CAS Name: 1-[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-2-(2-phenylethenylsulfonyl)ethanone IUPAC Name: 1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenylethenylsulfonyl)ethanone Traditional Name: 1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-styrylsulfonyl-ethanone Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CS(=O)(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O4S/c1-17-14-19(21-27-17)15-22-9-5-10-23(12-11-22)20(24)16-28(25,26)13-8-18-6-3-2-4-7-18/h2-4,6-8,13-14H,5,9-12,15-16H2,1H3