2-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-5-(4-methylpiperazin-1-yl)oxazole-4-carbonitrile CAS Name: 2-[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-5-(4-methyl-1-piperazinyl)-4-oxazolecarbonitrile IUPAC Name: 2-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-methoxy-3-pyrrolidinosulfonyl-phenyl)-5-(4-methylpiperazino)oxazole-4-carbonitrile Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(N=C(O2)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4)C#N

Isomeric SMILES

CN1CCN(CC1)C2=C(N=C(O2)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4)C#N

InChI

InChI=1S/C20H25N5O4S/c1-23-9-11-24(12-10-23)20-16(14-21)22-19(29-20)15-5-6-17(28-2)18(13-15)30(26,27)25-7-3-4-8-25/h5-6,13H,3-4,7-12H2,1-2H3