methyl 3-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]thiophene-2-carboxylate CAS Name: 3-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C17H17ClN2O5S2 MolecularWeight: 428.91028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H17ClN2O5S2/c1-25-17(22)15-13(6-9-26-15)19-16(21)11-4-5-12(18)14(10-11)27(23,24)20-7-2-3-8-20/h4-6,9-10H,2-3,7-8H2,1H3,(H,19,21)