4-bromanyl-N-cyclopropyl-3-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-cyclopropyl-3-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-bromo-N-cyclopropyl-3-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: 4-bromo-N-cyclopropyl-3-[oxo-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 4-bromo-N-cyclopropyl-3-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 4-bromo-N-cyclopropyl-3-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C20H30BrN4O3S+ MolecularWeight: 486.4462

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4CC4)Br

Isomeric SMILES

C1CC[NH+](C1)CCN2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4CC4)Br

InChI

InChI=1S/C20H29BrN4O3S/c21-19-6-5-17(29(27,28)22-16-3-4-16)15-18(19)20(26)25-13-11-24(12-14-25)10-9-23-7-1-2-8-23/h5-6,15-16,22H,1-4,7-14H2/p+1