2,2,4,6,7-pentamethyl-1-(phenylmethyl)sulfonyl-quinoline

Systemtic Name: 2,2,4,6,7-pentamethyl-1-(phenylmethyl)sulfonyl-quinoline Openeye Name: 1-benzylsulfonyl-2,2,4,6,7-pentamethyl-quinoline CAS Name: 2,2,4,6,7-pentamethyl-1-(phenylmethyl)sulfonylquinoline IUPAC Name: 1-benzylsulfonyl-2,2,4,6,7-pentamethylquinoline Traditional Name: 1-benzylsulfonyl-2,2,4,6,7-pentamethyl-quinoline Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(N2S(=O)(=O)CC3=CC=CC=C3)(C)C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(N2S(=O)(=O)CC3=CC=CC=C3)(C)C)C)C

InChI

InChI=1S/C21H25NO2S/c1-15-11-19-17(3)13-21(4,5)22(20(19)12-16(15)2)25(23,24)14-18-9-7-6-8-10-18/h6-13H,14H2,1-5H3