[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(2-ethylsulfonylphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-ethylsulfonylphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(2-esylphenyl)methanone Formula: C19H29N3O5S2 MolecularWeight: 443.58066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H29N3O5S2/c1-2-28(24,25)18-10-6-5-9-17(18)19(23)20-13-15-22(16-14-20)29(26,27)21-11-7-3-4-8-12-21/h5-6,9-10H,2-4,7-8,11-16H2,1H3