N-cyclopropyl-4-[4-(3-methylbutyl)piperazin-4-ium-1-yl]sulfonyl-benzenesulfonamide

Systemtic Name: N-cyclopropyl-4-[4-(3-methylbutyl)piperazin-4-ium-1-yl]sulfonyl-benzenesulfonamide Openeye Name: N-cyclopropyl-4-(4-isopentylpiperazin-4-ium-1-yl)sulfonyl-benzenesulfonamide CAS Name: N-cyclopropyl-4-[[4-(3-methylbutyl)-1-piperazin-4-iumyl]sulfonyl]benzenesulfonamide IUPAC Name: N-cyclopropyl-4-[4-(3-methylbutyl)piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide Traditional Name: N-cyclopropyl-4-(4-isoamylpiperazin-4-ium-1-yl)sulfonyl-benzenesulfonamide Formula: C18H30N3O4S2+ MolecularWeight: 416.5785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3CC3

Isomeric SMILES

CC(C)CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3CC3

InChI

InChI=1S/C18H29N3O4S2/c1-15(2)9-10-20-11-13-21(14-12-20)27(24,25)18-7-5-17(6-8-18)26(22,23)19-16-3-4-16/h5-8,15-16,19H,3-4,9-14H2,1-2H3/p+1