2-hydroxyethyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: 2-hydroxyethyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]-(thiophen-2-ylmethyl)azanium Openeye Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-pyrrolidin-3-yl]-(2-hydroxyethyl)-(2-thienylmethyl)ammonium CAS Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-3-pyrrolidinyl]-(2-hydroxyethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxypyrrolidin-3-yl]-(2-hydroxyethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: [(3S,4S)-1-besyl-4-hydroxy-pyrrolidin-3-yl]-(2-hydroxyethyl)-(2-thenyl)ammonium Formula: C17H23N2O4S2+ MolecularWeight: 383.50552

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1S(=O)(=O)C2=CC=CC=C2)O)[NH+](CCO)CC3=CC=CS3

Isomeric SMILES

C1[C@@H]([C@H](CN1S(=O)(=O)C2=CC=CC=C2)O)[NH+](CCO)CC3=CC=CS3

InChI

InChI=1S/C17H22N2O4S2/c20-9-8-18(11-14-5-4-10-24-14)16-12-19(13-17(16)21)25(22,23)15-6-2-1-3-7-15/h1-7,10,16-17,20-21H,8-9,11-13H2/p+1/t16-,17-/m0/s1