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

Systemtic Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[3-[4-(1-azepanylsulfonyl)phenyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]-3-keto-prop-1-enyl]benzoic acid Formula: C22H23NO5S MolecularWeight: 413.48672

Click to see the large picture

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(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5S/c24-21(14-7-17-5-8-19(9-6-17)22(25)26)18-10-12-20(13-11-18)29(27,28)23-15-3-1-2-4-16-23/h5-14H,1-4,15-16H2,(H,25,26)