4-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]carbonylamino]butanoic acid

Systemtic Name: 4-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]carbonylamino]butanoic acid Openeye Name: 4-[[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]amino]butanoic acid CAS Name: 4-[[[1-(4-bromophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]amino]butanoic acid Traditional Name: 4-[(1-brosylisonipecotoyl)amino]butyric acid Formula: C16H21BrN2O5S MolecularWeight: 433.31734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1CN(CCC1C(=O)NCCCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H21BrN2O5S/c17-13-3-5-14(6-4-13)25(23,24)19-10-7-12(8-11-19)16(22)18-9-1-2-15(20)21/h3-6,12H,1-2,7-11H2,(H,18,22)(H,20,21)