4-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbonylpiperazine-1-carbaldehyde

Systemtic Name: 4-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbonylpiperazine-1-carbaldehyde Openeye Name: 4-[3-(azepan-1-ylsulfonyl)-4-methyl-benzoyl]piperazine-1-carbaldehyde CAS Name: 4-[[3-(1-azepanylsulfonyl)-4-methylphenyl]-oxomethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[3-(azepan-1-ylsulfonyl)-4-methylbenzoyl]piperazine-1-carbaldehyde Traditional Name: 4-[3-(azepan-1-ylsulfonyl)-4-methyl-benzoyl]piperazine-1-carbaldehyde Formula: C19H27N3O4S MolecularWeight: 393.50038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4S/c1-16-6-7-17(19(24)21-12-10-20(15-23)11-13-21)14-18(16)27(25,26)22-8-4-2-3-5-9-22/h6-7,14-15H,2-5,8-13H2,1H3