(1-butylsulfonylpiperidin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (1-butylsulfonylpiperidin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (1-butylsulfonyl-4-piperidyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (1-butylsulfonyl-4-piperidinyl)-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (1-butylsulfonylpiperidin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (1-butylsulfonyl-4-piperidyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazino]methanone Formula: C22H35N3O5S2 MolecularWeight: 485.6604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCS(=O)(=O)N1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H35N3O5S2/c1-4-5-16-31(27,28)24-10-8-20(9-11-24)22(26)23-12-14-25(15-13-23)32(29,30)21-17-18(2)6-7-19(21)3/h6-7,17,20H,4-5,8-16H2,1-3H3