N-methyl-N-[2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: N-methyl-N-[2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-methyl-N-[2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]benzenesulfonamide CAS Name: N-methyl-N-[2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzenesulfonamide IUPAC Name: N-methyl-N-[2-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzenesulfonamide Traditional Name: N-[2-keto-2-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]ethyl]-N-methyl-benzenesulfonamide Formula: C22H29N3O5S2 MolecularWeight: 479.61276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)S(=O)(=O)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)S(=O)(=O)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O5S2/c1-23(32(29,30)21-7-4-3-5-8-21)18-22(26)25-14-6-13-24(15-16-25)17-19-9-11-20(12-10-19)31(2,27)28/h3-5,7-12H,6,13-18H2,1-2H3