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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C23H29N3O3S/c1-18-7-8-22(15-19(18)2)30(28,29)26-13-11-25(12-14-26)23(27)17-24-10-9-20-5-3-4-6-21(20)16-24/h3-8,15H,9-14,16-17H2,1-2H3