2-[4-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-[4-(1-azepanylsulfonyl)phenyl]-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-3-keto-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OCC#N

InChI

InChI=1S/C24H26N2O5S/c1-30-24-18-19(7-13-23(24)31-17-14-25)6-12-22(27)20-8-10-21(11-9-20)32(28,29)26-15-4-2-3-5-16-26/h6-13,18H,2-5,15-17H2,1H3/b12-6+