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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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