N-[4-(2-azanyl-1-oxidanyl-ethyl)phenyl]pyrrolidine-1-sulfonamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-[4-(2-azanyl-1-oxidanyl-ethyl)phenyl]pyrrolidine-1-sulfonamide; 4-methylbenzenesulfonic acid Openeye Name: N-[4-(2-amino-1-hydroxy-ethyl)phenyl]pyrrolidine-1-sulfonamide; 4-methylbenzenesulfonic acid CAS Name: N-[4-(2-amino-1-hydroxyethyl)phenyl]-1-pyrrolidinesulfonamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[4-(2-amino-1-hydroxyethyl)phenyl]pyrrolidine-1-sulfonamide; 4-methylbenzenesulfonic acid Traditional Name: N-[4-(2-amino-1-hydroxy-ethyl)phenyl]pyrrolidine-1-sulfonamide; tosylic acid Formula: C19H27N3O6S2 MolecularWeight: 457.56418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(C1)S(=O)(=O)NC2=CC=C(C=C2)C(CN)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(C1)S(=O)(=O)NC2=CC=C(C=C2)C(CN)O

InChI

InChI=1S/C12H19N3O3S.C7H8O3S/c13-9-12(16)10-3-5-11(6-4-10)14-19(17,18)15-7-1-2-8-15;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,12,14,16H,1-2,7-9,13H2;2-5H,1H3,(H,8,9,10)