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

Systemtic Name: (2E)-1-(1-butylsulfonylpiperidin-4-yl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone Openeye Name: (2E)-1-(1-butylsulfonyl-4-piperidyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone CAS Name: (2E)-1-(1-butylsulfonyl-4-piperidinyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone IUPAC Name: (2E)-1-(1-butylsulfonylpiperidin-4-yl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone Traditional Name: (2E)-1-(1-butylsulfonyl-4-piperidyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone Formula: C22H32N2O3S MolecularWeight: 404.56608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O3S/c1-4-5-14-28(26,27)24-12-10-17(11-13-24)21(25)15-20-19-9-7-6-8-18(19)16-22(2,3)23-20/h6-9,15,17,23H,4-5,10-14,16H2,1-3H3/b20-15+