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

Systemtic Name: 5-[4-(diphenylmethyl)piperazin-1-yl]-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzhydrylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)oxazole-4-carbonitrile CAS Name: 5-[4-(diphenylmethyl)-1-piperazinyl]-2-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzhydrylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzhydrylpiperazino)-2-(4-pyrrolidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C31H31N5O3S MolecularWeight: 553.67454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C#N

InChI

InChI=1S/C31H31N5O3S/c32-23-28-31(39-30(33-28)26-13-15-27(16-14-26)40(37,38)36-17-7-8-18-36)35-21-19-34(20-22-35)29(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-6,9-16,29H,7-8,17-22H2