tert-butyl 2-[[[4-[(4-azanyl-5-ethanoyl-1,3-thiazol-2-yl)amino]phenyl]sulfonylamino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[[4-[(4-azanyl-5-ethanoyl-1,3-thiazol-2-yl)amino]phenyl]sulfonylamino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-[[[4-[(5-acetyl-4-amino-thiazol-2-yl)amino]phenyl]sulfonylamino]methyl]piperidine-1-carboxylate CAS Name: 2-[[[4-[(5-acetyl-4-amino-2-thiazolyl)amino]phenyl]sulfonylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[[4-[(5-acetyl-4-amino-1,3-thiazol-2-yl)amino]phenyl]sulfonylamino]methyl]piperidine-1-carboxylate Traditional Name: 2-[[[4-[(5-acetyl-4-amino-thiazol-2-yl)amino]phenyl]sulfonylamino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H31N5O5S2 MolecularWeight: 509.64204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=C(S1)NC2=CC=C(C=C2)S(=O)(=O)NCC3CCCCN3C(=O)OC(C)(C)C)N

Isomeric SMILES

CC(=O)C1=C(N=C(S1)NC2=CC=C(C=C2)S(=O)(=O)NCC3CCCCN3C(=O)OC(C)(C)C)N

InChI

InChI=1S/C22H31N5O5S2/c1-14(28)18-19(23)26-20(33-18)25-15-8-10-17(11-9-15)34(30,31)24-13-16-7-5-6-12-27(16)21(29)32-22(2,3)4/h8-11,16,24H,5-7,12-13,23H2,1-4H3,(H,25,26)