3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[4-(1-imidazolylmethyl)phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(imidazol-1-ylmethyl)benzyl]thiophene-2-carboxamide Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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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=CC=C(C=C4)CN5C=CN=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(SC=C3)C(=O)NCC4=CC=C(C=C4)CN5C=CN=C5

InChI

InChI=1S/C25H24N4O3S2/c30-25(27-15-19-5-7-20(8-6-19)16-28-13-11-26-18-28)24-23(10-14-33-24)34(31,32)29-12-9-21-3-1-2-4-22(21)17-29/h1-8,10-11,13-14,18H,9,12,15-17H2,(H,27,30)