1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]-2-methyl-butan-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-methyl-butan-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-methyl-butan-1-one CAS Name: 1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxyphenyl]-1-piperazinyl]-2-methyl-1-butanone IUPAC Name: 1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxyphenyl]piperazin-1-yl]-2-methylbutan-1-one Traditional Name: 1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxy-phenyl]piperazino]-2-methyl-butan-1-one Formula: C27H37N3O6S MolecularWeight: 531.66418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O6S/c1-6-19(2)27(31)29-13-11-28(12-14-29)23-17-22(7-8-24(23)34-3)37(32,33)30-10-9-20-15-25(35-4)26(36-5)16-21(20)18-30/h7-8,15-17,19H,6,9-14,18H2,1-5H3