1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]-1-indolyl]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(2,5-dimethylbenzyl)sulfonylindol-1-yl]ethanone Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O3S/c1-20-11-12-21(2)24(15-20)19-34(32,33)27-17-30(26-10-6-5-9-25(26)27)18-28(31)29-14-13-22-7-3-4-8-23(22)16-29/h3-12,15,17H,13-14,16,18-19H2,1-2H3