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

Systemtic Name: 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]-5-(3-pyridylmethylamino)oxazole-4-carbonitrile CAS Name: 2-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-5-(3-pyridinylmethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]-5-(3-pyridylmethylamino)oxazole-4-carbonitrile Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CN=CC=C4)C#N

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CN=CC=C4)C#N

InChI

InChI=1S/C22H23N5O3S/c1-16-4-3-11-27(15-16)31(28,29)19-8-6-18(7-9-19)21-26-20(12-23)22(30-21)25-14-17-5-2-10-24-13-17/h2,5-10,13,16,25H,3-4,11,14-15H2,1H3/t16-/m0/s1