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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCCC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCCC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H26N4O3S/c25-18-22-24(26-15-14-19-8-4-3-5-9-19)31-23(27-22)20-10-12-21(13-11-20)32(29,30)28-16-6-1-2-7-17-28/h3-5,8-13,26H,1-2,6-7,14-17H2