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

Systemtic Name: 5-[(4-methoxyphenyl)amino]-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-methoxyanilino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)oxazole-4-carbonitrile CAS Name: 5-(4-methoxyanilino)-2-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-methoxyanilino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(p-anisidino)-2-(4-pyrrolidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C#N

InChI

InChI=1S/C21H20N4O4S/c1-28-17-8-6-16(7-9-17)23-21-19(14-22)24-20(29-21)15-4-10-18(11-5-15)30(26,27)25-12-2-3-13-25/h4-11,23H,2-3,12-13H2,1H3