[2-(4-methylsulfonylphenyl)phenyl]-(3,3,5-trimethylazepan-1-yl)methanone

Systemtic Name: [2-(4-methylsulfonylphenyl)phenyl]-(3,3,5-trimethylazepan-1-yl)methanone Openeye Name: [2-(4-methylsulfonylphenyl)phenyl]-(3,3,5-trimethylazepan-1-yl)methanone CAS Name: [2-(4-methylsulfonylphenyl)phenyl]-(3,3,5-trimethyl-1-azepanyl)methanone IUPAC Name: [2-(4-methylsulfonylphenyl)phenyl]-(3,3,5-trimethylazepan-1-yl)methanone Traditional Name: [2-(4-mesylphenyl)phenyl]-(3,3,5-trimethylazepan-1-yl)methanone Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1)(C)C)C(=O)C2=CC=CC=C2C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1CCN(CC(C1)(C)C)C(=O)C2=CC=CC=C2C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H29NO3S/c1-17-13-14-24(16-23(2,3)15-17)22(25)21-8-6-5-7-20(21)18-9-11-19(12-10-18)28(4,26)27/h5-12,17H,13-16H2,1-4H3