methyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]benzoate

Systemtic Name: methyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]benzoate Openeye Name: methyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]benzoate CAS Name: 4-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]benzoate Traditional Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]benzoic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H28N2O5S/c1-30-23(27)19-9-11-20(12-10-19)24-22(26)15-8-18-6-13-21(14-7-18)31(28,29)25-16-4-2-3-5-17-25/h6-7,9-14H,2-5,8,15-17H2,1H3,(H,24,26)