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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(1,3-benzodioxol-5-ylmethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(1,3-benzodioxol-5-ylmethylamino)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-(1,3-benzodioxol-5-ylmethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(1,3-benzodioxol-5-ylmethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(piperonylamino)oxazole-4-carbonitrile Formula: C24H24N4O5S MolecularWeight: 480.53616

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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=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C24H24N4O5S/c25-14-20-24(26-15-17-5-10-21-22(13-17)32-16-31-21)33-23(27-20)18-6-8-19(9-7-18)34(29,30)28-11-3-1-2-4-12-28/h5-10,13,26H,1-4,11-12,15-16H2