1-[4-(2,2-dimethylpropanoylamino)-2-morpholin-4-ylsulfonyl-phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[4-(2,2-dimethylpropanoylamino)-2-morpholin-4-ylsulfonyl-phenyl]piperidine-4-carboxamide Openeye Name: 1-[4-(2,2-dimethylpropanoylamino)-2-morpholinosulfonyl-phenyl]piperidine-4-carboxamide CAS Name: 1-[4-[(2,2-dimethyl-1-oxopropyl)amino]-2-(4-morpholinylsulfonyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-(2,2-dimethylpropanoylamino)-2-morpholin-4-ylsulfonylphenyl]piperidine-4-carboxamide Traditional Name: 1-[2-morpholinosulfonyl-4-(pivaloylamino)phenyl]isonipecotamide Formula: C21H32N4O5S MolecularWeight: 452.56758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC(=C(C=C1)N2CCC(CC2)C(=O)N)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC(=C(C=C1)N2CCC(CC2)C(=O)N)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H32N4O5S/c1-21(2,3)20(27)23-16-4-5-17(24-8-6-15(7-9-24)19(22)26)18(14-16)31(28,29)25-10-12-30-13-11-25/h4-5,14-15H,6-13H2,1-3H3,(H2,22,26)(H,23,27)