2-[4-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[[4-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 2-[[4-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]sulfonylbenzonitrile Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)OCC

InChI

InChI=1S/C26H31N3O5S/c1-3-33-23-15-20-9-12-28(18-22(20)16-24(23)34-4-2)26(30)19-10-13-29(14-11-19)35(31,32)25-8-6-5-7-21(25)17-27/h5-8,15-16,19H,3-4,9-14,18H2,1-2H3