5-ethyl-N-(3-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: 5-ethyl-N-(3-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 5-ethyl-N-(3-morpholinosulfonylphenyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 5-ethyl-N-[3-(4-morpholinylsulfonyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 5-ethyl-N-(3-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 5-ethyl-N-(3-morpholinosulfonylphenyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H26N2O4S2/c1-2-15-6-7-19-16(12-15)13-20(28-19)21(24)22-17-4-3-5-18(14-17)29(25,26)23-8-10-27-11-9-23/h3-5,13-15H,2,6-12H2,1H3,(H,22,24)