5-[[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[3-(1-azepanylsulfonyl)-4-methoxyphenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[3-(azepan-1-ylsulfonyl)-4-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=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3)C(=O)O

Isomeric SMILES

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

InChI

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