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

Systemtic Name: methyl 4-[[methyl-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[methyl-[2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[methyl-[1-oxo-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[methyl-[2-(5-pyrrolidinosulfonyl-2-thienyl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H24N2O5S2/c1-21(14-15-5-7-16(8-6-15)20(24)27-2)18(23)13-17-9-10-19(28-17)29(25,26)22-11-3-4-12-22/h5-10H,3-4,11-14H2,1-2H3