4-methylbenzenesulfonic acid; N-[[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide

Systemtic Name: 4-methylbenzenesulfonic acid; N-[[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide Openeye Name: N-[[1-(2-anilino-2-oxo-ethyl)-4-piperidyl]methyl]-1H-indazole-3-carboxamide; 4-methylbenzenesulfonic acid CAS Name: N-[[1-(2-anilino-2-oxoethyl)-4-piperidinyl]methyl]-1H-indazole-3-carboxamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: N-[[1-(2-anilino-2-keto-ethyl)-4-piperidyl]methyl]-1H-indazole-3-carboxamide; tosylic acid Formula: C29H33N5O5S MolecularWeight: 563.66782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CCC1CNC(=O)C2=NNC3=CC=CC=C32)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CCC1CNC(=O)C2=NNC3=CC=CC=C32)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2.C7H8O3S/c28-20(24-17-6-2-1-3-7-17)15-27-12-10-16(11-13-27)14-23-22(29)21-18-8-4-5-9-19(18)25-26-21;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,16H,10-15H2,(H,23,29)(H,24,28)(H,25,26);2-5H,1H3,(H,8,9,10)