N-[(1R,2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,2-dihydroacenaphthylen-1-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1R,2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,2-dihydroacenaphthylen-1-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1R,2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,2-dihydroacenaphthylen-1-yl]-4-methyl-benzenesulfonamide CAS Name: N-[(1R,2S)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1,2-dihydroacenaphthylen-1-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1R,2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,2-dihydroacenaphthylen-1-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1R,2S)-2-[(4,6-dimethylpyrimidin-2-yl)thio]acenaphthen-1-yl]-4-methyl-benzenesulfonamide Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2C(C3=CC=CC4=C3C2=CC=C4)SC5=NC(=CC(=N5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2[C@H](C3=CC=CC4=C3C2=CC=C4)SC5=NC(=CC(=N5)C)C

InChI

InChI=1S/C25H23N3O2S2/c1-15-10-12-19(13-11-15)32(29,30)28-23-20-8-4-6-18-7-5-9-21(22(18)20)24(23)31-25-26-16(2)14-17(3)27-25/h4-14,23-24,28H,1-3H3/t23-,24+/m1/s1