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

Systemtic Name: 2-(4-morpholin-4-ylsulfonylphenyl)-5-[4-(phenylmethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-1-yl)-2-(4-morpholinosulfonylphenyl)oxazole-4-carbonitrile CAS Name: 2-[4-(4-morpholinylsulfonyl)phenyl]-5-[4-(phenylmethyl)-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzylpiperazino)-2-(4-morpholinosulfonylphenyl)oxazole-4-carbonitrile Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(N=C(O3)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(N=C(O3)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)C#N

InChI

InChI=1S/C25H27N5O4S/c26-18-23-25(29-12-10-28(11-13-29)19-20-4-2-1-3-5-20)34-24(27-23)21-6-8-22(9-7-21)35(31,32)30-14-16-33-17-15-30/h1-9H,10-17,19H2