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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-pyridylmethyl)thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-pyridinylmethyl)-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-pyridylmethyl)thiophene-2-carboxamide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(SC=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(SC=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C20H19N3O3S2/c24-20(22-13-15-4-3-9-21-12-15)19-18(8-11-27-19)28(25,26)23-10-7-16-5-1-2-6-17(16)14-23/h1-6,8-9,11-12H,7,10,13-14H2,(H,22,24)