1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]-2-ethyl-hexan-1-one

Systemtic Name: 1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxyphenyl]-1-piperazinyl]-2-ethyl-1-hexanone IUPAC Name: 1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxyphenyl]piperazin-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxy-phenyl]piperazino]-2-ethyl-hexan-1-one Formula: C30H43N3O6S MolecularWeight: 573.74392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43N3O6S/c1-6-8-9-22(7-2)30(34)32-16-14-31(15-17-32)26-20-25(10-11-27(26)37-3)40(35,36)33-13-12-23-18-28(38-4)29(39-5)19-24(23)21-33/h10-11,18-20,22H,6-9,12-17,21H2,1-5H3