methyl 2-[[1-[(3-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-[(3-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 2-[[[1-[(3-bromophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 2-[[1-(3-bromobenzyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H23BrN2O5S/c1-29-21(26)18-7-2-3-8-19(18)23-20(25)16-9-11-24(12-10-16)30(27,28)14-15-5-4-6-17(22)13-15/h2-8,13,16H,9-12,14H2,1H3,(H,23,25)