2-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-(3-pyridylmethylamino)oxazole-4-carbonitrile CAS Name: 2-[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-5-(3-pyridinylmethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-methoxy-3-pyrrolidinosulfonyl-phenyl)-5-(3-pyridylmethylamino)oxazole-4-carbonitrile Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(O2)NCC3=CN=CC=C3)C#N)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(O2)NCC3=CN=CC=C3)C#N)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H21N5O4S/c1-29-18-7-6-16(11-19(18)31(27,28)26-9-2-3-10-26)20-25-17(12-22)21(30-20)24-14-15-5-4-8-23-13-15/h4-8,11,13,24H,2-3,9-10,14H2,1H3