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

Systemtic Name: 1-adamantyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methanone Openeye Name: 1-adamantyl-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methanone CAS Name: 1-adamantyl-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1-adamantyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methanone Traditional Name: 1-adamantyl-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methanone Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H31N3O4S/c1-14-19(15(2)28-22-14)29(26,27)24-5-3-4-23(6-7-24)20(25)21-11-16-8-17(12-21)10-18(9-16)13-21/h16-18H,3-13H2,1-2H3