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

Systemtic Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (5-methyl-3-phenyl-isoxazol-4-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-methyl-3-phenyl-4-isoxazolyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (5-methyl-3-phenyl-isoxazol-4-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(ON=C3C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(ON=C3C4=CC=CC=C4)C

InChI

InChI=1S/C23H25N3O4S/c1-17-9-11-20(12-10-17)31(28,29)26-14-6-13-25(15-16-26)23(27)21-18(2)30-24-22(21)19-7-4-3-5-8-19/h3-5,7-12H,6,13-16H2,1-2H3