methyl 2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]benzoate

Systemtic Name: methyl 2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]benzoate Openeye Name: methyl 2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]benzoate CAS Name: 2-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]benzoate Traditional Name: 2-[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=CC=C1NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H28N2O5S/c1-30-23(27)20-8-4-5-9-21(20)24-22(26)15-12-18-10-13-19(14-11-18)31(28,29)25-16-6-2-3-7-17-25/h4-5,8-11,13-14H,2-3,6-7,12,15-17H2,1H3,(H,24,26)