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

Systemtic Name: 2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-[4-(phenylmethyl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzyl-1-piperidyl)-2-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]oxazole-4-carbonitrile CAS Name: 2-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-5-[4-(phenylmethyl)-1-piperidinyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperidin-1-yl)-2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperidino)-2-[4-(3-methylpiperidino)sulfonylphenyl]oxazole-4-carbonitrile Formula: C28H32N4O3S MolecularWeight: 504.64368

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCC(CC4)CC5=CC=CC=C5)C#N

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCC(CC4)CC5=CC=CC=C5)C#N

InChI

InChI=1S/C28H32N4O3S/c1-21-6-5-15-32(20-21)36(33,34)25-11-9-24(10-12-25)27-30-26(19-29)28(35-27)31-16-13-23(14-17-31)18-22-7-3-2-4-8-22/h2-4,7-12,21,23H,5-6,13-18,20H2,1H3