3,5-dimethyl-4-[[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,2-oxazole Openeye Name: 4-[(4-benzylsulfonyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-isoxazole CAS Name: 3,5-dimethyl-4-[[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]methyl]isoxazole IUPAC Name: 4-[(4-benzylsulfonyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[(4-benzylsulfonyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-isoxazole Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H25N3O3S/c1-15-18(16(2)24-19-15)13-20-9-6-10-21(12-11-20)25(22,23)14-17-7-4-3-5-8-17/h3-5,7-8H,6,9-14H2,1-2H3