1-[7-(6-chloranylindol-1-yl)sulfonyl-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]ethanone

Systemtic Name: 1-[7-(6-chloranylindol-1-yl)sulfonyl-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]ethanone Openeye Name: 1-[7-(6-chloroindol-1-yl)sulfonyl-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]ethanone CAS Name: 1-[7-[(6-chloro-1-indolyl)sulfonyl]-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]ethanone IUPAC Name: 1-[7-(6-chloroindol-1-yl)sulfonyl-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]ethanone Traditional Name: 1-[7-(6-chloroindol-1-yl)sulfonyl-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl]ethanone Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=C(C=CC(=C2)S(=O)(=O)N3C=CC4=C3C=C(C=C4)Cl)C(C1)(C)C

Isomeric SMILES

CC(=O)N1CC2=C(C=CC(=C2)S(=O)(=O)N3C=CC4=C3C=C(C=C4)Cl)C(C1)(C)C

InChI

InChI=1S/C21H21ClN2O3S/c1-14(25)23-12-16-10-18(6-7-19(16)21(2,3)13-23)28(26,27)24-9-8-15-4-5-17(22)11-20(15)24/h4-11H,12-13H2,1-3H3