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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CN=CC=C4)C#N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CN=CC=C4)C#N

InChI

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