methyl 4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(5-pyrrolidinosulfonyl-2-thienyl)acetyl]amino]benzoic acid methyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H20N2O5S2/c1-25-18(22)13-4-6-14(7-5-13)19-16(21)12-15-8-9-17(26-15)27(23,24)20-10-2-3-11-20/h4-9H,2-3,10-12H2,1H3,(H,19,21)