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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(allylamino)-2-[4-(azepan-1-ylsulfonyl)phenyl]oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-(prop-2-enylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(allylamino)-2-[4-(azepan-1-ylsulfonyl)phenyl]oxazole-4-carbonitrile Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C#N

Isomeric SMILES

C=CCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C#N

InChI

InChI=1S/C19H22N4O3S/c1-2-11-21-19-17(14-20)22-18(26-19)15-7-9-16(10-8-15)27(24,25)23-12-5-3-4-6-13-23/h2,7-10,21H,1,3-6,11-13H2