N-[4-[[4-(methylsulfonylamino)phenyl]-[1-[(2S)-pyrrolidin-1-ium-2-yl]carbonylpyrrolidin-2-yl]phosphoryl]phenyl]methanesulfonamide chloride

Systemtic Name: N-[4-[[4-(methylsulfonylamino)phenyl]-[1-[(2S)-pyrrolidin-1-ium-2-yl]carbonylpyrrolidin-2-yl]phosphoryl]phenyl]methanesulfonamide chloride Openeye Name: N-[4-[[4-(methanesulfonamido)phenyl]-[1-[(2S)-pyrrolidin-1-ium-2-carbonyl]pyrrolidin-2-yl]phosphoryl]phenyl]methanesulfonamide chloride CAS Name: N-[4-[[4-(methanesulfonamido)phenyl]-[1-[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]-2-pyrrolidinyl]phosphoryl]phenyl]methanesulfonamide chloride IUPAC Name: N-[4-[[4-(methanesulfonamido)phenyl]-[1-[(2S)-pyrrolidin-1-ium-2-carbonyl]pyrrolidin-2-yl]phosphoryl]phenyl]methanesulfonamide chloride Traditional Name: N-[4-[[4-(methanesulfonamido)phenyl]-[1-[(2S)-pyrrolidin-1-ium-2-carbonyl]pyrrolidin-2-yl]phosphoryl]phenyl]methanesulfonamide chloride Formula: C23H32ClN4O6PS2 MolecularWeight: 591.080141

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)P(=O)(C2CCCN2C(=O)C3CCC[NH2+]3)C4=CC=C(C=C4)NS(=O)(=O)C.[Cl-]

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)P(=O)(C2CCCN2C(=O)[C@@H]3CCC[NH2+]3)C4=CC=C(C=C4)NS(=O)(=O)C.[Cl-]

InChI

InChI=1S/C23H31N4O6PS2.ClH/c1-35(30,31)25-17-7-11-19(12-8-17)34(29,20-13-9-18(10-14-20)26-36(2,32)33)22-6-4-16-27(22)23(28)21-5-3-15-24-21;/h7-14,21-22,24-26H,3-6,15-16H2,1-2H3;1H/t21-,22?;/m0./s1