N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]thiophene-3-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]thiophene-3-carboxamide Openeye Name: N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]thiophene-3-carboxamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-thiophenecarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]thiophene-3-carboxamide Traditional Name: N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-3-carboxamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CSC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CSC=C4

InChI

InChI=1S/C21H20N2O3S2/c1-15-2-6-20(7-3-15)28(25,26)23-10-8-16-4-5-19(12-18(16)13-23)22-21(24)17-9-11-27-14-17/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,22,24)