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

Systemtic Name: 4-[[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-3,5-dimethyl-isoxazole CAS Name: 4-[[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-3,5-dimethylisoxazole IUPAC Name: 4-[[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[[4-(4-tert-butylbenzyl)-1,4-diazepan-1-yl]sulfonyl]-3,5-dimethyl-isoxazole Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3S/c1-16-20(17(2)27-22-16)28(25,26)24-12-6-11-23(13-14-24)15-18-7-9-19(10-8-18)21(3,4)5/h7-10H,6,11-15H2,1-5H3