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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (3,5-dimethylisoxazol-4-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (3,5-dimethyl-4-isoxazolyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (3,5-dimethylisoxazol-4-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C18H23N3O4S MolecularWeight: 377.45792

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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=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C18H23N3O4S/c1-13-5-7-16(8-6-13)26(23,24)21-10-4-9-20(11-12-21)18(22)17-14(2)19-25-15(17)3/h5-8H,4,9-12H2,1-3H3