2-[[[4-(azepan-1-ylsulfonyl)phenyl]amino]methylidene]propanedinitrile

Systemtic Name: 2-[[[4-(azepan-1-ylsulfonyl)phenyl]amino]methylidene]propanedinitrile Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)anilino]methylene]propanedinitrile CAS Name: 2-[[4-(1-azepanylsulfonyl)anilino]methylidene]propanedinitrile IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)anilino]methylidene]propanedinitrile Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)anilino]methylene]malononitrile Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC=C(C#N)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC=C(C#N)C#N

InChI

InChI=1S/C16H18N4O2S/c17-11-14(12-18)13-19-15-5-7-16(8-6-15)23(21,22)20-9-3-1-2-4-10-20/h5-8,13,19H,1-4,9-10H2