4-[3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[3-[4-(1-azepanylsulfonyl)phenyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]-3-keto-prop-1-enyl]benzonitrile Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H22N2O3S/c23-17-19-7-5-18(6-8-19)9-14-22(25)20-10-12-21(13-11-20)28(26,27)24-15-3-1-2-4-16-24/h5-14H,1-4,15-16H2