5-ethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: 5-ethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 5-ethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 5-ethyl-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 5-ethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 5-ethyl-N-(4-pyrrolidinosulfonylphenyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H26N2O3S2/c1-2-15-5-10-19-16(13-15)14-20(27-19)21(24)22-17-6-8-18(9-7-17)28(25,26)23-11-3-4-12-23/h6-9,14-15H,2-5,10-13H2,1H3,(H,22,24)