(4-methylsulfonyl-1,4-diazepan-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone

Systemtic Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidyl]methanone CAS Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinyl]methanone IUPAC Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: (1-mesitylsulfonyl-4-piperidyl)-(4-mesyl-1,4-diazepan-1-yl)methanone Formula: C21H33N3O5S2 MolecularWeight: 471.63382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C21H33N3O5S2/c1-16-14-17(2)20(18(3)15-16)31(28,29)24-10-6-19(7-11-24)21(25)22-8-5-9-23(13-12-22)30(4,26)27/h14-15,19H,5-13H2,1-4H3