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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(2-chlorophenyl)methylamino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(2-chlorophenyl)methylamino]oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-[(2-chlorophenyl)methylamino]-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(2-chlorophenyl)methylamino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(2-chlorobenzyl)amino]oxazole-4-carbonitrile Formula: C23H23ClN4O3S MolecularWeight: 470.97172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC=CC=C4Cl)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC=CC=C4Cl)C#N

InChI

InChI=1S/C23H23ClN4O3S/c24-20-8-4-3-7-18(20)16-26-23-21(15-25)27-22(31-23)17-9-11-19(12-10-17)32(29,30)28-13-5-1-2-6-14-28/h3-4,7-12,26H,1-2,5-6,13-14,16H2