methyl 4-[[1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]butanoate CAS Name: 4-[[[1-(4-bromophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]butanoate Traditional Name: 4-[(1-brosylnipecotoyl)amino]butyric acid methyl ester Formula: C17H23BrN2O5S MolecularWeight: 447.34392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)CCCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H23BrN2O5S/c1-25-16(21)5-2-10-19-17(22)13-4-3-11-20(12-13)26(23,24)15-8-6-14(18)7-9-15/h6-9,13H,2-5,10-12H2,1H3,(H,19,22)