1-(4-bromophenyl)sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]piperidine-2-carboxamide

Systemtic Name: 1-(4-bromophenyl)sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]piperidine-2-carboxamide Openeye Name: 1-(4-bromophenyl)sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]piperidine-2-carboxamide CAS Name: 1-(4-bromophenyl)sulfonyl-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-2-piperidinecarboxamide IUPAC Name: 1-(4-bromophenyl)sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]piperidine-2-carboxamide Traditional Name: 1-brosyl-N-[2-(isobutyrylamino)ethyl]pipecolinamide Formula: C18H26BrN3O4S MolecularWeight: 460.38574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1CCCCN1S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1CCCCN1S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H26BrN3O4S/c1-13(2)17(23)20-10-11-21-18(24)16-5-3-4-12-22(16)27(25,26)15-8-6-14(19)7-9-15/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,20,23)(H,21,24)