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

Systemtic Name: 1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]-3-methyl-but-2-en-1-one Openeye Name: 1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]-3-methyl-but-2-en-1-one CAS Name: 1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxyphenyl]-1-piperazinyl]-3-methyl-2-buten-1-one IUPAC Name: 1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxyphenyl]piperazin-1-yl]-3-methylbut-2-en-1-one Traditional Name: 1-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxy-phenyl]piperazino]-3-methyl-but-2-en-1-one Formula: C27H35N3O6S MolecularWeight: 529.6483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O6S/c1-19(2)14-27(31)29-12-10-28(11-13-29)23-17-22(6-7-24(23)34-3)37(32,33)30-9-8-20-15-25(35-4)26(36-5)16-21(20)18-30/h6-7,14-17H,8-13,18H2,1-5H3