1-(4-bromophenyl)sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]piperidine-3-carboxamide

Systemtic Name: 1-(4-bromophenyl)sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]piperidine-3-carboxamide Openeye Name: 1-(4-bromophenyl)sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]piperidine-3-carboxamide CAS Name: 1-(4-bromophenyl)sulfonyl-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-bromophenyl)sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]piperidine-3-carboxamide Traditional Name: 1-brosyl-N-[2-(isobutyrylamino)ethyl]nipecotamide Formula: C18H26BrN3O4S MolecularWeight: 460.38574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H26BrN3O4S/c1-13(2)17(23)20-9-10-21-18(24)14-4-3-11-22(12-14)27(25,26)16-7-5-15(19)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,20,23)(H,21,24)