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

Systemtic Name: 2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-(1-phenylethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-5-(1-phenylethylamino)oxazole-4-carbonitrile CAS Name: 2-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-5-(1-phenylethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-(1-phenylethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(3-methylpiperidino)sulfonylphenyl]-5-(1-phenylethylamino)oxazole-4-carbonitrile Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O3S/c1-17-7-6-14-28(16-17)32(29,30)21-12-10-20(11-13-21)23-27-22(15-25)24(31-23)26-18(2)19-8-4-3-5-9-19/h3-5,8-13,17-18,26H,6-7,14,16H2,1-2H3