N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-thiophene-2-carboxamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-thiophene-2-carboxamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-thiophene-2-carboxamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-methyl-2-thiophenecarboxamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-methyl-thiophene-2-carboxamide Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=C(C=CS2)C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=C(C=CS2)C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H22N2O4S2/c1-3-24-15-7-6-14(19-18(21)17-13(2)8-11-25-17)12-16(15)26(22,23)20-9-4-5-10-20/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,19,21)