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

Systemtic Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(1-octylsulfonylpiperidin-4-yl)ethanone Openeye Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(1-octylsulfonyl-4-piperidyl)ethanone CAS Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(1-octylsulfonyl-4-piperidinyl)ethanone IUPAC Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(1-octylsulfonylpiperidin-4-yl)ethanone Traditional Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(1-octylsulfonyl-4-piperidyl)ethanone Formula: C26H40N2O3S MolecularWeight: 460.6724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N2O3S/c1-4-5-6-7-8-11-18-32(30,31)28-16-14-21(15-17-28)25(29)19-24-23-13-10-9-12-22(23)20-26(2,3)27-24/h9-10,12-13,19,21,27H,4-8,11,14-18,20H2,1-3H3/b24-19+