5-[(4-methoxyphenyl)amino]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[(4-methoxyphenyl)amino]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-methoxyanilino)-2-[4-(1-piperidylsulfonyl)phenyl]oxazole-4-carbonitrile CAS Name: 5-(4-methoxyanilino)-2-[4-(1-piperidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-methoxyanilino)-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(p-anisidino)-2-(4-piperidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C#N

InChI

InChI=1S/C22H22N4O4S/c1-29-18-9-7-17(8-10-18)24-22-20(15-23)25-21(30-22)16-5-11-19(12-6-16)31(27,28)26-13-3-2-4-14-26/h5-12,24H,2-4,13-14H2,1H3