[4-(2-methylpropyl)-2-[3-(phenylsulfonyl)piperazin-1-yl]phenyl]sulfamic acid

Systemtic Name: [4-(2-methylpropyl)-2-[3-(phenylsulfonyl)piperazin-1-yl]phenyl]sulfamic acid Openeye Name: [2-[3-(benzenesulfonyl)piperazin-1-yl]-4-isobutyl-phenyl]sulfamic acid CAS Name: [2-[3-(benzenesulfonyl)-1-piperazinyl]-4-(2-methylpropyl)phenyl]sulfamic acid IUPAC Name: [2-[3-(benzenesulfonyl)piperazin-1-yl]-4-(2-methylpropyl)phenyl]sulfamic acid Traditional Name: [2-(3-besylpiperazino)-4-isobutyl-phenyl]sulfamic acid Formula: C20H27N3O5S2 MolecularWeight: 453.57548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H27N3O5S2/c1-15(2)12-16-8-9-18(22-30(26,27)28)19(13-16)23-11-10-21-20(14-23)29(24,25)17-6-4-3-5-7-17/h3-9,13,15,20-22H,10-12,14H2,1-2H3,(H,26,27,28)