N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-piperidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-piperidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-(1-piperidylsulfonyl)benzenesulfonamide CAS Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-(1-piperidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[2-(dimethylaminomethyl)benzyl]-4-piperidinosulfonyl-benzenesulfonamide Formula: C21H29N3O4S2 MolecularWeight: 451.60266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN(C)CC1=CC=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H29N3O4S2/c1-23(2)17-19-9-5-4-8-18(19)16-22-29(25,26)20-10-12-21(13-11-20)30(27,28)24-14-6-3-7-15-24/h4-5,8-13,22H,3,6-7,14-17H2,1-2H3