N-[4-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazol-2-yl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[4-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazol-2-yl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[4-[4-(3-methylbutanoylamino)phenyl]thiazol-2-yl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[4-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-thiazolyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[4-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-[4-[4-(isovalerylamino)phenyl]thiazol-2-yl]-1-mesyl-nipecotamide Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C21H28N4O4S2/c1-14(2)11-19(26)22-17-8-6-15(7-9-17)18-13-30-21(23-18)24-20(27)16-5-4-10-25(12-16)31(3,28)29/h6-9,13-14,16H,4-5,10-12H2,1-3H3,(H,22,26)(H,23,24,27)