5-[[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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