3-methyl-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-methyl-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-1-benzothiophene-2-carboxamide Openeye Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-benzothiophene-2-carboxamide CAS Name: N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)-3-methyl-benzothiophene-2-carboxamide Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)O

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)O

InChI

InChI=1S/C20H20N2O4S2/c1-13-15-6-2-3-7-18(15)27-19(13)20(24)21-16-12-14(8-9-17(16)23)28(25,26)22-10-4-5-11-22/h2-3,6-9,12,23H,4-5,10-11H2,1H3,(H,21,24)