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

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-1-benzothiophene-2-carboxamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-benzothiophene-2-carboxamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-methyl-benzothiophene-2-carboxamide Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)C)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)C)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H24N2O4S2/c1-3-28-18-11-10-16(14-20(18)30(26,27)24-12-6-7-13-24)23-22(25)21-15(2)17-8-4-5-9-19(17)29-21/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,23,25)