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

Systemtic Name: 2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-[4-(phenylmethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-1-yl)-2-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]oxazole-4-carbonitrile CAS Name: 2-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-5-[4-(phenylmethyl)-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-1-yl)-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazino)-2-[4-(4-methylpiperidino)sulfonylphenyl]oxazole-4-carbonitrile Formula: C27H31N5O3S MolecularWeight: 505.63174

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCN(CC4)CC5=CC=CC=C5)C#N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCN(CC4)CC5=CC=CC=C5)C#N

InChI

InChI=1S/C27H31N5O3S/c1-21-11-13-32(14-12-21)36(33,34)24-9-7-23(8-10-24)26-29-25(19-28)27(35-26)31-17-15-30(16-18-31)20-22-5-3-2-4-6-22/h2-10,21H,11-18,20H2,1H3