[2-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone

Systemtic Name: [2-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone Openeye Name: [2-(5-bromo-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(3,5-dimethyl-1-piperidyl)methanone CAS Name: [2-(5-bromo-2-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(3,5-dimethyl-1-piperidinyl)methanone IUPAC Name: [2-(5-bromo-2-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone Traditional Name: [2-(5-bromo-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(3,5-dimethylpiperidino)methanone Formula: C25H31BrN2O4S MolecularWeight: 535.49364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N4CC(CC(C4)C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N4CC(CC(C4)C)C

InChI

InChI=1S/C25H31BrN2O4S/c1-4-32-23-10-9-21(26)13-24(23)33(30,31)28-16-20-8-6-5-7-19(20)12-22(28)25(29)27-14-17(2)11-18(3)15-27/h5-10,13,17-18,22H,4,11-12,14-16H2,1-3H3