N-[4-[(1-thiophen-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]ethanamide

Systemtic Name: N-[4-[(1-thiophen-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]ethanamide Openeye Name: N-[4-[[1-(3-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]acetamide CAS Name: N-[4-[[1-(3-thiophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[(1-thiophen-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]acetamide Traditional Name: N-[4-[[1-(3-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]acetamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2C4=CSC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2C4=CSC=C4

InChI

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