1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(m-tolylmethylsulfonyl)indol-1-yl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[(3-methylphenyl)methylsulfonyl]-1-indolyl]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(3-methylbenzyl)sulfonylindol-1-yl]ethanone Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H26N2O3S/c1-20-7-6-8-21(15-20)19-33(31,32)26-17-29(25-12-5-4-11-24(25)26)18-27(30)28-14-13-22-9-2-3-10-23(22)16-28/h2-12,15,17H,13-14,16,18-19H2,1H3