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

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (3-methylisoxazol-5-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-methyl-5-isoxazolyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (3-methyl-1,2-oxazol-5-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (3-methylisoxazol-5-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=NO3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=NO3)C

InChI

InChI=1S/C17H21N3O4S/c1-13-4-6-15(7-5-13)25(22,23)20-9-3-8-19(10-11-20)17(21)16-12-14(2)18-24-16/h4-7,12H,3,8-11H2,1-2H3