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

Systemtic Name: N-methyl-N-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(2-keto-2-mesidino-ethyl)-N-methyl-1-(2-thienylsulfonyl)isonipecotamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CN(C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CN(C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C22H29N3O4S2/c1-15-12-16(2)21(17(3)13-15)23-19(26)14-24(4)22(27)18-7-9-25(10-8-18)31(28,29)20-6-5-11-30-20/h5-6,11-13,18H,7-10,14H2,1-4H3,(H,23,26)