methyl 3-[[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[(3S)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[(3S)-1-(4-bromophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(3S)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[(3S)-1-brosylnipecotoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H19BrN2O5S2 MolecularWeight: 487.38786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H19BrN2O5S2/c1-26-18(23)16-15(8-10-27-16)20-17(22)12-3-2-9-21(11-12)28(24,25)14-6-4-13(19)5-7-14/h4-8,10,12H,2-3,9,11H2,1H3,(H,20,22)/t12-/m0/s1