2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-(phenethylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-(phenethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]-5-(phenethylamino)oxazole-4-carbonitrile CAS Name: 2-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-5-(phenethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-(phenethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]-5-(phenethylamino)oxazole-4-carbonitrile Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCCC4=CC=CC=C4)C#N

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCCC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H26N4O3S/c1-18-6-5-15-28(17-18)32(29,30)21-11-9-20(10-12-21)23-27-22(16-25)24(31-23)26-14-13-19-7-3-2-4-8-19/h2-4,7-12,18,26H,5-6,13-15,17H2,1H3/t18-/m0/s1