methyl 5-[[1-[(4-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]-2-chloranyl-benzoate

Systemtic Name: methyl 5-[[1-[(4-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]-2-chloranyl-benzoate Openeye Name: methyl 5-[[1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-2-chloro-benzoate CAS Name: 5-[[[1-[(4-bromophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 5-[[1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-2-chlorobenzoate Traditional Name: 5-[[1-(4-bromobenzyl)sulfonylisonipecotoyl]amino]-2-chloro-benzoic acid methyl ester Formula: C21H22BrClN2O5S MolecularWeight: 529.83178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C21H22BrClN2O5S/c1-30-21(27)18-12-17(6-7-19(18)23)24-20(26)15-8-10-25(11-9-15)31(28,29)13-14-2-4-16(22)5-3-14/h2-7,12,15H,8-11,13H2,1H3,(H,24,26)