3,5-dimethyl-4-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonyl-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonyl-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonyl-isoxazole CAS Name: 3,5-dimethyl-4-[[(2S)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonyl-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]sulfonyl-isoxazole Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCCCC2C3=CC=CN3C

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCCC[C@H]2C3=CC=CN3C

InChI

InChI=1S/C16H23N3O3S/c1-12-16(13(2)22-17-12)23(20,21)19-11-6-4-5-8-15(19)14-9-7-10-18(14)3/h7,9-10,15H,4-6,8,11H2,1-3H3/t15-/m0/s1