(2R)-N-(2-chloranyl-5-nitro-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-chloranyl-5-nitro-phenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-chloro-5-nitro-phenyl)propanamide CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(2-chloro-5-nitrophenyl)propanamide IUPAC Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-chloro-5-nitrophenyl)propanamide Traditional Name: (2R)-2-(4-besylpiperazin-1-ium-1-yl)-N-(2-chloro-5-nitro-phenyl)propionamide Formula: C19H22ClN4O5S+ MolecularWeight: 453.91978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21ClN4O5S/c1-14(19(25)21-18-13-15(24(26)27)7-8-17(18)20)22-9-11-23(12-10-22)30(28,29)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,21,25)/p+1/t14-/m1/s1