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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]ethanone Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C23H29N3O5S/c1-30-21-8-7-20(15-22(21)31-2)32(28,29)26-13-11-24(12-14-26)17-23(27)25-10-9-18-5-3-4-6-19(18)16-25/h3-8,15H,9-14,16-17H2,1-2H3