cyclobutylmethyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]-(phenylmethyl)azanium

Systemtic Name: cyclobutylmethyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]-(phenylmethyl)azanium Openeye Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-pyrrolidin-3-yl]-benzyl-(cyclobutylmethyl)ammonium CAS Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-3-pyrrolidinyl]-(cyclobutylmethyl)-(phenylmethyl)ammonium IUPAC Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxypyrrolidin-3-yl]-benzyl-(cyclobutylmethyl)azanium Traditional Name: benzyl-[(3S,4S)-1-besyl-4-hydroxy-pyrrolidin-3-yl]-(cyclobutylmethyl)ammonium Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C[NH+](CC2=CC=CC=C2)C3CN(CC3O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(C1)C[NH+](CC2=CC=CC=C2)[C@H]3CN(C[C@@H]3O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H28N2O3S/c25-22-17-24(28(26,27)20-12-5-2-6-13-20)16-21(22)23(15-19-10-7-11-19)14-18-8-3-1-4-9-18/h1-6,8-9,12-13,19,21-22,25H,7,10-11,14-17H2/p+1/t21-,22-/m0/s1