5-(3-imidazol-1-ylpropylamino)-2-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(3-imidazol-1-ylpropylamino)-2-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(3-imidazol-1-ylpropylamino)-2-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)oxazole-4-carbonitrile CAS Name: 5-[3-(1-imidazolyl)propylamino]-2-[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(3-imidazol-1-ylpropylamino)-2-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(3-imidazol-1-ylpropylamino)-2-(4-methoxy-3-pyrrolidinosulfonyl-phenyl)oxazole-4-carbonitrile Formula: C21H24N6O4S MolecularWeight: 456.51806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(O2)NCCCN3C=CN=C3)C#N)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(O2)NCCCN3C=CN=C3)C#N)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H24N6O4S/c1-30-18-6-5-16(13-19(18)32(28,29)27-10-2-3-11-27)20-25-17(14-22)21(31-20)24-7-4-9-26-12-8-23-15-26/h5-6,8,12-13,15,24H,2-4,7,9-11H2,1H3