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

Systemtic Name: 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]-5-(4-phenylpiperazin-1-yl)oxazole-4-carbonitrile CAS Name: 2-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-5-(4-phenyl-1-piperazinyl)-4-oxazolecarbonitrile IUPAC Name: 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]-5-(4-phenylpiperazino)oxazole-4-carbonitrile Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCN(CC4)C5=CC=CC=C5)C#N

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCN(CC4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C26H29N5O3S/c1-20-6-5-13-31(19-20)35(32,33)23-11-9-21(10-12-23)25-28-24(18-27)26(34-25)30-16-14-29(15-17-30)22-7-3-2-4-8-22/h2-4,7-12,20H,5-6,13-17,19H2,1H3/t20-/m0/s1