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

Systemtic Name: N-[4-(2-azanyl-1-oxidanyl-ethyl)phenyl]piperidine-1-sulfonamide; 4-methylbenzenesulfonic acid Openeye Name: N-[4-(2-amino-1-hydroxy-ethyl)phenyl]piperidine-1-sulfonamide; 4-methylbenzenesulfonic acid CAS Name: N-[4-(2-amino-1-hydroxyethyl)phenyl]-1-piperidinesulfonamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[4-(2-amino-1-hydroxyethyl)phenyl]piperidine-1-sulfonamide; 4-methylbenzenesulfonic acid Traditional Name: N-[4-(2-amino-1-hydroxy-ethyl)phenyl]piperidine-1-sulfonamide; tosylic acid Formula: C20H29N3O6S2 MolecularWeight: 471.59076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O3S.C7H8O3S/c14-10-13(17)11-4-6-12(7-5-11)15-20(18,19)16-8-2-1-3-9-16;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,13,15,17H,1-3,8-10,14H2;2-5H,1H3,(H,8,9,10)