(2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(1-ethylsulfonylpiperidin-4-yl)ethanone

Systemtic Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(1-ethylsulfonylpiperidin-4-yl)ethanone Openeye Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(1-ethylsulfonyl-4-piperidyl)ethanone CAS Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(1-ethylsulfonyl-4-piperidinyl)ethanone IUPAC Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(1-ethylsulfonylpiperidin-4-yl)ethanone Traditional Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(1-esyl-4-piperidyl)ethanone Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)C=C2C3=CC=CC=C3CC(N2)(C)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)/C=C/2\C3=CC=CC=C3CC(N2)(C)C

InChI

InChI=1S/C20H28N2O3S/c1-4-26(24,25)22-11-9-15(10-12-22)19(23)13-18-17-8-6-5-7-16(17)14-20(2,3)21-18/h5-8,13,15,21H,4,9-12,14H2,1-3H3/b18-13+