[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-methyl-3-methylsulfonyl-phenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-methyl-3-methylsulfonyl-phenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-methyl-3-methylsulfonyl-phenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(4-methyl-3-methylsulfonylphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-methyl-3-methylsulfonylphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(3-mesyl-4-methyl-phenyl)methanone Formula: C19H29N3O5S2 MolecularWeight: 443.58066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C

InChI

InChI=1S/C19H29N3O5S2/c1-16-7-8-17(15-18(16)28(2,24)25)19(23)20-11-13-22(14-12-20)29(26,27)21-9-5-3-4-6-10-21/h7-8,15H,3-6,9-14H2,1-2H3