tert-butyl 4-[[5-(5-ethyl-2-methyl-6-oxidanylidene-1H-pyridin-3-yl)thiophen-2-yl]sulfonyl-methyl-amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-(5-ethyl-2-methyl-6-oxidanylidene-1H-pyridin-3-yl)thiophen-2-yl]sulfonyl-methyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-2-thienyl]sulfonyl-methyl-amino]piperidine-1-carboxylate CAS Name: 4-[[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-2-thiophenyl]sulfonyl-methylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophen-2-yl]sulfonyl-methylamino]piperidine-1-carboxylate Traditional Name: 4-[[5-(5-ethyl-6-keto-2-methyl-1H-pyridin-3-yl)-2-thienyl]sulfonyl-methyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H33N3O5S2 MolecularWeight: 495.65522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(NC1=O)C)C2=CC=C(S2)S(=O)(=O)N(C)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC(=C(NC1=O)C)C2=CC=C(S2)S(=O)(=O)N(C)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H33N3O5S2/c1-7-16-14-18(15(2)24-21(16)27)19-8-9-20(32-19)33(29,30)25(6)17-10-12-26(13-11-17)22(28)31-23(3,4)5/h8-9,14,17H,7,10-13H2,1-6H3,(H,24,27)