[2-(4-methoxyphenyl)azepan-1-yl]-(4-methylsulfonylphenyl)methanone

Systemtic Name: [2-(4-methoxyphenyl)azepan-1-yl]-(4-methylsulfonylphenyl)methanone Openeye Name: [2-(4-methoxyphenyl)azepan-1-yl]-(4-methylsulfonylphenyl)methanone CAS Name: [2-(4-methoxyphenyl)-1-azepanyl]-(4-methylsulfonylphenyl)methanone IUPAC Name: [2-(4-methoxyphenyl)azepan-1-yl]-(4-methylsulfonylphenyl)methanone Traditional Name: (4-mesylphenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H25NO4S/c1-26-18-11-7-16(8-12-18)20-6-4-3-5-15-22(20)21(23)17-9-13-19(14-10-17)27(2,24)25/h7-14,20H,3-6,15H2,1-2H3