(4-cyanophenyl) (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: (4-cyanophenyl) (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (4-cyanophenyl) (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (4-cyanophenyl) ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H22N2O4S/c23-17-19-5-10-20(11-6-19)28-22(25)14-9-18-7-12-21(13-8-18)29(26,27)24-15-3-1-2-4-16-24/h5-14H,1-4,15-16H2/b14-9+