(4R,5S)-4-methyl-6-methylidene-5-(4-methylphenyl)sulfonyl-1-(phenylmethyl)azepan-2-one

Systemtic Name: (4R,5S)-4-methyl-6-methylidene-5-(4-methylphenyl)sulfonyl-1-(phenylmethyl)azepan-2-one Openeye Name: (4R,5S)-1-benzyl-4-methyl-6-methylene-5-(p-tolylsulfonyl)azepan-2-one CAS Name: (4R,5S)-4-methyl-6-methylene-5-(4-methylphenyl)sulfonyl-1-(phenylmethyl)-2-azepanone IUPAC Name: (4R,5S)-1-benzyl-4-methyl-6-methylidene-5-(4-methylphenyl)sulfonylazepan-2-one Traditional Name: (4R,5S)-1-benzyl-4-methyl-6-methylene-5-tosyl-azepan-2-one Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(CC(=C)C1S(=O)(=O)C2=CC=C(C=C2)C)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC(=O)N(CC(=C)[C@H]1S(=O)(=O)C2=CC=C(C=C2)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H25NO3S/c1-16-9-11-20(12-10-16)27(25,26)22-17(2)13-21(24)23(14-18(22)3)15-19-7-5-4-6-8-19/h4-12,17,22H,3,13-15H2,1-2H3/t17-,22+/m1/s1