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

Systemtic Name: N-[4-[(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]ethanamide Openeye Name: N-[4-[[1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]acetamide CAS Name: N-[4-[(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]acetamide Traditional Name: N-[4-[[1-(2-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=CC=CS4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2C4=CC=CS4

InChI

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