1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-4-(3-methylphenoxy)butan-1-one

Systemtic Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-4-(3-methylphenoxy)butan-1-one Openeye Name: 1-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one CAS Name: 1-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-4-(3-methylphenoxy)-1-butanone IUPAC Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-4-(3-methylphenoxy)butan-1-one Traditional Name: 1-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazino]-4-(3-methylphenoxy)butan-1-one Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C20H27N3O5S/c1-15-6-4-7-18(14-15)27-13-5-8-19(24)22-9-11-23(12-10-22)29(25,26)20-16(2)21-28-17(20)3/h4,6-7,14H,5,8-13H2,1-3H3