5-[methyl-(phenylmethyl)amino]-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[methyl-(phenylmethyl)amino]-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-[benzyl(methyl)amino]-2-(4-pyrrolidin-1-ylsulfonylphenyl)oxazole-4-carbonitrile CAS Name: 5-[methyl-(phenylmethyl)amino]-2-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-[benzyl(methyl)amino]-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-[benzyl(methyl)amino]-2-(4-pyrrolidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C#N

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C#N

InChI

InChI=1S/C22H22N4O3S/c1-25(16-17-7-3-2-4-8-17)22-20(15-23)24-21(29-22)18-9-11-19(12-10-18)30(27,28)26-13-5-6-14-26/h2-4,7-12H,5-6,13-14,16H2,1H3