[1-(4-bromanyl-3-methyl-phenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [1-(4-bromanyl-3-methyl-phenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [1-(4-bromo-3-methyl-phenyl)sulfonyl-4-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [1-(4-bromo-3-methylphenyl)sulfonyl-4-piperidinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [1-(4-bromo-3-methyl-phenyl)sulfonyl-4-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C22H25BrN2O3S MolecularWeight: 477.4145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3)Br

InChI

InChI=1S/C22H25BrN2O3S/c1-16-14-20(6-7-21(16)23)29(27,28)25-12-9-18(10-13-25)22(26)24-11-8-17-4-2-3-5-19(17)15-24/h2-7,14,18H,8-13,15H2,1H3