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

Systemtic Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]sulfonylpiperazin-2-one Openeye Name: 4-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfonylpiperazin-2-one CAS Name: 4-[3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]sulfonyl-2-piperazinone IUPAC Name: 4-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfonylpiperazin-2-one Traditional Name: 4-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]sulfonylpiperazin-2-one Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C20H21N3O4S/c24-19-14-23(11-9-21-19)28(26,27)18-7-3-6-16(12-18)20(25)22-10-8-15-4-1-2-5-17(15)13-22/h1-7,12H,8-11,13-14H2,(H,21,24)