N-cyclopropyl-4-methyl-3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-cyclopropyl-4-methyl-3-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-cyclopropyl-4-methyl-3-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-cyclopropyl-4-methyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-cyclopropyl-3-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-carbonyl]-4-methyl-benzenesulfonamide Formula: C22H33N4O4S+ MolecularWeight: 449.58682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C22H32N4O4S/c1-17-5-8-19(31(29,30)23-18-6-7-18)15-20(17)22(28)26-13-11-24(12-14-26)16-21(27)25-9-3-2-4-10-25/h5,8,15,18,23H,2-4,6-7,9-14,16H2,1H3/p+1