4-bromanyl-N-cyclopropyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-cyclopropyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: 4-bromo-N-cyclopropyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: 4-bromo-N-cyclopropyl-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 4-bromo-N-cyclopropyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: 4-bromo-N-cyclopropyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C19H22BrN4O3S+ MolecularWeight: 466.37198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H21BrN4O3S/c20-17-7-6-15(28(26,27)22-14-4-5-14)13-16(17)19(25)24-11-9-23(10-12-24)18-3-1-2-8-21-18/h1-3,6-8,13-14,22H,4-5,9-12H2/p+1