N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]-N-[2-(p-tolylsulfonylamino)ethyl]thiazole-4-carboxamide CAS Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-(3-phenylpropioloyl)-4-piperidyl]-N-[2-(tosylamino)ethyl]thiazole-4-carboxamide Formula: C27H28N4O4S2 MolecularWeight: 536.66562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O4S2/c1-20-7-10-23(11-8-20)37(34,35)29-16-15-28-26(33)24-19-36-27(30-24)22-13-17-31(18-14-22)25(32)12-9-21-5-3-2-4-6-21/h2-8,10-11,19,22,29H,13-18H2,1H3,(H,28,33)