N-[2-(2-methylpropanoylamino)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(2-methylpropanoylamino)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-methylpropanoylamino)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(2-methylpropanoylamino)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(isobutyrylamino)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C22H35N3O4S MolecularWeight: 437.596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCCNC(=O)C(C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCCNC(=O)C(C)C)C)C

InChI

InChI=1S/C22H35N3O4S/c1-14(2)21(26)23-9-10-24-22(27)19-7-11-25(12-8-19)30(28,29)20-17(5)15(3)13-16(4)18(20)6/h13-14,19H,7-12H2,1-6H3,(H,23,26)(H,24,27)