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

Systemtic Name: ethyl 3-[[1-[(3-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-[(3-bromophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(3-bromobenzyl)sulfonylisonipecotoyl]amino]benzoic acid ethyl ester Formula: C22H25BrN2O5S MolecularWeight: 509.4133

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H25BrN2O5S/c1-2-30-22(27)18-6-4-8-20(14-18)24-21(26)17-9-11-25(12-10-17)31(28,29)15-16-5-3-7-19(23)13-16/h3-8,13-14,17H,2,9-12,15H2,1H3,(H,24,26)