1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-[3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-[4-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfonylpiperazino]ethanone Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H25N3O4S/c1-17(26)23-11-13-25(14-12-23)30(28,29)21-8-4-7-19(15-21)22(27)24-10-9-18-5-2-3-6-20(18)16-24/h2-8,15H,9-14,16H2,1H3