5-[(4-methylphenyl)methylamino]-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[(4-methylphenyl)methylamino]-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(p-tolylmethylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)oxazole-4-carbonitrile CAS Name: 5-[(4-methylphenyl)methylamino]-2-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-[(4-methylphenyl)methylamino]-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-[(4-methylbenzyl)amino]-2-(4-pyrrolidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C#N

InChI

InChI=1S/C22H22N4O3S/c1-16-4-6-17(7-5-16)15-24-22-20(14-23)25-21(29-22)18-8-10-19(11-9-18)30(27,28)26-12-2-3-13-26/h4-11,24H,2-3,12-13,15H2,1H3