2-chloranyl-N-cyclopropyl-5-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-cyclopropyl-5-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: 2-chloro-N-cyclopropyl-5-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: 2-chloro-N-cyclopropyl-5-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 2-chloro-N-cyclopropyl-5-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: 2-chloro-N-cyclopropyl-5-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C19H22ClN4O3S+ MolecularWeight: 421.92098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O3S/c20-17-4-1-14(13-18(17)28(26,27)22-15-2-3-15)19(25)24-11-9-23(10-12-24)16-5-7-21-8-6-16/h1,4-8,13,15,22H,2-3,9-12H2/p+1