5-(3-imidazol-1-ylpropylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(3-imidazol-1-ylpropylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(3-imidazol-1-ylpropylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)oxazole-4-carbonitrile CAS Name: 5-[3-(1-imidazolyl)propylamino]-2-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(3-imidazol-1-ylpropylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(3-imidazol-1-ylpropylamino)-2-(4-pyrrolidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCCCN4C=CN=C4)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCCCN4C=CN=C4)C#N

InChI

InChI=1S/C20H22N6O3S/c21-14-18-20(23-8-3-10-25-13-9-22-15-25)29-19(24-18)16-4-6-17(7-5-16)30(27,28)26-11-1-2-12-26/h4-7,9,13,15,23H,1-3,8,10-12H2