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

Systemtic Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(1-propylsulfonylpiperidin-4-yl)ethanone Openeye Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(1-propylsulfonyl-4-piperidyl)ethanone CAS Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(1-propylsulfonyl-4-piperidinyl)ethanone IUPAC Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(1-propylsulfonylpiperidin-4-yl)ethanone Traditional Name: (2E)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(1-propylsulfonyl-4-piperidyl)ethanone Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3S/c1-4-13-27(25,26)23-11-9-16(10-12-23)20(24)14-19-18-8-6-5-7-17(18)15-21(2,3)22-19/h5-8,14,16,22H,4,9-13,15H2,1-3H3/b19-14+