ethyl 4-[(4-bromanyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(4-bromanyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: ethyl 4-[[4-bromo-3-(1-piperidylsulfonyl)benzoyl]amino]benzoate CAS Name: 4-[[[4-bromo-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-bromo-3-piperidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-[(4-bromo-3-piperidinosulfonyl-benzoyl)amino]benzoic acid ethyl ester Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23BrN2O5S/c1-2-29-21(26)15-6-9-17(10-7-15)23-20(25)16-8-11-18(22)19(14-16)30(27,28)24-12-4-3-5-13-24/h6-11,14H,2-5,12-13H2,1H3,(H,23,25)