[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(3,5-dimethylphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(3,5-dimethylphenyl)methanone Formula: C19H29N3O3S MolecularWeight: 379.51686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S/c1-16-13-17(2)15-18(14-16)19(23)20-9-11-22(12-10-20)26(24,25)21-7-5-3-4-6-8-21/h13-15H,3-12H2,1-2H3