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

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

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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)CC5=CC=CC=C5)C#N

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCN(CC4)CC5=CC=CC=C5)C#N

InChI

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