methyl 4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]benzoate

Systemtic Name: methyl 4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]benzoate Openeye Name: methyl 4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]benzoate Traditional Name: 4-[3-(4-pyrrolidinosulfonylphenyl)propanoylamino]benzoic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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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)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H24N2O5S/c1-28-21(25)17-7-9-18(10-8-17)22-20(24)13-6-16-4-11-19(12-5-16)29(26,27)23-14-2-3-15-23/h4-5,7-12H,2-3,6,13-15H2,1H3,(H,22,24)