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

Systemtic Name: 5-[[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C23H28N2O7S MolecularWeight: 476.54262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O7S/c1-31-20-10-8-17(33(29,30)25-11-5-3-4-6-12-25)14-18(20)22(26)24-15-16-7-9-21(32-2)19(13-16)23(27)28/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,24,26)(H,27,28)