benzenesulfonic acid; 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]pyridin-4-yl]methyl]-N-methyl-piperazine-1-carboxamide

Systemtic Name: benzenesulfonic acid; 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]pyridin-4-yl]methyl]-N-methyl-piperazine-1-carboxamide Openeye Name: benzenesulfonic acid; 4-[[2-[(5-cyanothiazol-2-yl)amino]-4-pyridyl]methyl]-N-methyl-piperazine-1-carboxamide CAS Name: benzenesulfonic acid; 4-[[2-[(5-cyano-2-thiazolyl)amino]-4-pyridinyl]methyl]-N-methyl-1-piperazinecarboxamide IUPAC Name: benzenesulfonic acid; 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]pyridin-4-yl]methyl]-N-methylpiperazine-1-carboxamide Traditional Name: besylic acid; 4-[[2-[(5-cyanothiazol-2-yl)amino]-4-pyridyl]methyl]-N-methyl-piperazine-1-carboxamide Formula: C22H25N7O4S2 MolecularWeight: 515.6084

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N1CCN(CC1)CC2=CC(=NC=C2)NC3=NC=C(S3)C#N.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CNC(=O)N1CCN(CC1)CC2=CC(=NC=C2)NC3=NC=C(S3)C#N.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C16H19N7OS.C6H6O3S/c1-18-16(24)23-6-4-22(5-7-23)11-12-2-3-19-14(8-12)21-15-20-10-13(9-17)25-15;7-10(8,9)6-4-2-1-3-5-6/h2-3,8,10H,4-7,11H2,1H3,(H,18,24)(H,19,20,21);1-5H,(H,7,8,9)