N-[3-(2-methylpropanoylamino)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(2-methylpropanoylamino)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(2-methylpropanoylamino)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(2-methylpropanoylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(isobutyrylamino)phenyl]-1-mesyl-isonipecotamide Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H25N3O4S/c1-12(2)16(21)18-14-5-4-6-15(11-14)19-17(22)13-7-9-20(10-8-13)25(3,23)24/h4-6,11-13H,7-10H2,1-3H3,(H,18,21)(H,19,22)