2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-methoxyphenyl)amino]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-methoxyphenyl)amino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methoxyanilino)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-(4-methoxyanilino)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(p-anisidino)oxazole-4-carbonitrile Formula: C23H24N4O4S MolecularWeight: 452.52606

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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)N4CCCCCC4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C#N

InChI

InChI=1S/C23H24N4O4S/c1-30-19-10-8-18(9-11-19)25-23-21(16-24)26-22(31-23)17-6-12-20(13-7-17)32(28,29)27-14-4-2-3-5-15-27/h6-13,25H,2-5,14-15H2,1H3