5-[[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[3-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[3-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[3-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C(=O)O

InChI

InChI=1S/C22H26N2O6S/c1-30-20-10-9-16(13-19(20)22(26)27)15-23-21(25)17-7-6-8-18(14-17)31(28,29)24-11-4-2-3-5-12-24/h6-10,13-14H,2-5,11-12,15H2,1H3,(H,23,25)(H,26,27)