N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC3=C(S2)CCCC3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC3=C(S2)CCCC3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H26N2O4S2/c1-2-27-17-10-9-16(14-20(17)29(25,26)23-11-5-6-12-23)22-21(24)19-13-15-7-3-4-8-18(15)28-19/h9-10,13-14H,2-8,11-12H2,1H3,(H,22,24)