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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(p-tolylmethylamino)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-[(4-methylphenyl)methylamino]-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-methylbenzyl)amino]oxazole-4-carbonitrile Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C#N

InChI

InChI=1S/C24H26N4O3S/c1-18-6-8-19(9-7-18)17-26-24-22(16-25)27-23(31-24)20-10-12-21(13-11-20)32(29,30)28-14-4-2-3-5-15-28/h6-13,26H,2-5,14-15,17H2,1H3