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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (5-methylisoxazol-3-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (5-methyl-3-isoxazolyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (5-methyl-1,2-oxazol-3-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: [4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-(5-methylisoxazol-3-yl)methanone Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=NO1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H23N3O4S/c1-14-12-17(19-25-14)18(22)21-9-3-8-20(10-11-21)13-15-4-6-16(7-5-15)26(2,23)24/h4-7,12H,3,8-11,13H2,1-2H3