N-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(2-keto-2-mesidino-ethyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C21H27N3O4S2/c1-14-10-15(2)20(16(3)11-14)23-18(25)12-22-21(26)17-6-4-8-24(13-17)30(27,28)19-7-5-9-29-19/h5,7,9-11,17H,4,6,8,12-13H2,1-3H3,(H,22,26)(H,23,25)