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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-imidazol-1-ylpropylamino)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-[3-(1-imidazolyl)propylamino]-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3-imidazol-1-ylpropylamino)oxazole-4-carbonitrile Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCCCN4C=CN=C4)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCCCN4C=CN=C4)C#N

InChI

InChI=1S/C22H26N6O3S/c23-16-20-22(25-10-5-12-27-15-11-24-17-27)31-21(26-20)18-6-8-19(9-7-18)32(29,30)28-13-3-1-2-4-14-28/h6-9,11,15,17,25H,1-5,10,12-14H2