3-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazine-1-carbonyl]benzonitrile Formula: C28H28N4O4S MolecularWeight: 516.61132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O4S/c1-36-27-10-9-25(37(34,35)32-12-11-22-6-2-3-7-24(22)20-32)18-26(27)30-13-15-31(16-14-30)28(33)23-8-4-5-21(17-23)19-29/h2-10,17-18H,11-16,20H2,1H3