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

Systemtic Name: 3-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxy-phenyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxyphenyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxyphenyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxy-phenyl]piperazine-1-carbonyl]benzonitrile Formula: C30H32N4O6S MolecularWeight: 576.66328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)N4CCN(CC4)C(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)N4CCN(CC4)C(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C30H32N4O6S/c1-38-27-8-7-25(41(36,37)34-10-9-22-16-28(39-2)29(40-3)17-24(22)20-34)18-26(27)32-11-13-33(14-12-32)30(35)23-6-4-5-21(15-23)19-31/h4-8,15-18H,9-14,20H2,1-3H3