3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-hexyl-thiophene-2-carboxamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-hexyl-thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-hexyl-thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-hexyl-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-hexylthiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-hexyl-thiophene-2-carboxamide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCCCCNC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H26N2O3S2/c1-2-3-4-7-12-21-20(23)19-18(11-14-26-19)27(24,25)22-13-10-16-8-5-6-9-17(16)15-22/h5-6,8-9,11,14H,2-4,7,10,12-13,15H2,1H3,(H,21,23)