2-hydroxyethyl-[(2R)-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium

Systemtic Name: 2-hydroxyethyl-[(2R)-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-hydroxyethyl)-[(2R)-2-hydroxy-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propyl]ammonium CAS Name: 2-hydroxyethyl-[(2R)-2-hydroxy-3-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-hydroxyethyl)-[(2R)-2-hydroxy-3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propyl]azanium Traditional Name: benzyl-(2-hydroxyethyl)-[(2R)-2-hydroxy-3-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propyl]ammonium Formula: C22H30N3O7S+ MolecularWeight: 480.5545

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(C[NH+](CCO)CC3=CC=CC=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC[C@@H](C[NH+](CCO)CC3=CC=CC=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O7S/c26-13-12-23(15-18-6-2-1-3-7-18)16-19(27)17-32-22-9-8-20(14-21(22)25(28)29)33(30,31)24-10-4-5-11-24/h1-3,6-9,14,19,26-27H,4-5,10-13,15-17H2/p+1/t19-/m1/s1