methyl 3-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(3-pyrrolidinosulfonylbenzoyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S2/c1-24-17(21)15-14(7-10-25-15)18-16(20)12-5-4-6-13(11-12)26(22,23)19-8-2-3-9-19/h4-7,10-11H,2-3,8-9H2,1H3,(H,18,20)