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

Systemtic Name: 5-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]-2-methoxy-benzoic acid Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)O

InChI

InChI=1S/C24H30N2O6S/c1-32-22-12-8-19(16-21(22)24(28)29)17-25-23(27)13-9-18-6-10-20(11-7-18)33(30,31)26-14-4-2-3-5-15-26/h6-8,10-12,16H,2-5,9,13-15,17H2,1H3,(H,25,27)(H,28,29)