2,1,3-benzoxadiazol-5-ylmethyl-methyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]azanium

Systemtic Name: 2,1,3-benzoxadiazol-5-ylmethyl-methyl-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]azanium Openeye Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-pyrrolidin-3-yl]-(2,1,3-benzoxadiazol-5-ylmethyl)-methyl-ammonium CAS Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-3-pyrrolidinyl]-(2,1,3-benzoxadiazol-5-ylmethyl)-methylammonium IUPAC Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxypyrrolidin-3-yl]-(2,1,3-benzoxadiazol-5-ylmethyl)-methylazanium Traditional Name: benzofurazan-5-ylmethyl-[(3S,4S)-1-besyl-4-hydroxy-pyrrolidin-3-yl]-methyl-ammonium Formula: C18H21N4O4S+ MolecularWeight: 389.44874

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=NON=C2C=C1)C3CN(CC3O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC2=NON=C2C=C1)[C@H]3CN(C[C@@H]3O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H20N4O4S/c1-21(10-13-7-8-15-16(9-13)20-26-19-15)17-11-22(12-18(17)23)27(24,25)14-5-3-2-4-6-14/h2-9,17-18,23H,10-12H2,1H3/p+1/t17-,18-/m0/s1