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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-furylmethylamino)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-(2-furanylmethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-furfurylamino)oxazole-4-carbonitrile Formula: C21H22N4O4S MolecularWeight: 426.48878

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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=CO4)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC=CO4)C#N

InChI

InChI=1S/C21H22N4O4S/c22-14-19-21(23-15-17-6-5-13-28-17)29-20(24-19)16-7-9-18(10-8-16)30(26,27)25-11-3-1-2-4-12-25/h5-10,13,23H,1-4,11-12,15H2