methyl 4-[[[1-(5-chloranylthiophen-2-yl)sulfonylpyrrolidin-2-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-(5-chloranylthiophen-2-yl)sulfonylpyrrolidin-2-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-[(5-chloro-2-thienyl)sulfonyl]pyrrolidine-2-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-pyrrolidinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1-[(5-chloro-2-thienyl)sulfonyl]prolyl]amino]methyl]benzoic acid methyl ester Formula: C18H19ClN2O5S2 MolecularWeight: 442.93686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2CCCN2S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2CCCN2S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H19ClN2O5S2/c1-26-18(23)13-6-4-12(5-7-13)11-20-17(22)14-3-2-10-21(14)28(24,25)16-9-8-15(19)27-16/h4-9,14H,2-3,10-11H2,1H3,(H,20,22)