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

Systemtic Name: 2-chloranyl-N-prop-2-enyl-5-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-allyl-2-chloro-5-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: 2-chloro-5-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]-N-prop-2-enylbenzenesulfonamide IUPAC Name: 2-chloro-N-prop-2-enyl-5-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-allyl-2-chloro-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:

C=CCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)Cl

Isomeric SMILES

C=CCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)Cl

InChI

InChI=1S/C19H21ClN4O3S/c1-2-7-22-28(26,27)18-14-15(3-4-17(18)20)19(25)24-12-10-23(11-13-24)16-5-8-21-9-6-16/h2-6,8-9,14,22H,1,7,10-13H2/p+1