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

Systemtic Name: 4-[[3-(azepan-1-ylsulfonyl)-4-bromanyl-phenyl]carbonylamino]benzoate Openeye Name: 4-[[3-(azepan-1-ylsulfonyl)-4-bromo-benzoyl]amino]benzoate CAS Name: 4-[[[3-(1-azepanylsulfonyl)-4-bromophenyl]-oxomethyl]amino]benzoate IUPAC Name: 4-[[3-(azepan-1-ylsulfonyl)-4-bromobenzoyl]amino]benzoate Traditional Name: 4-[[3-(azepan-1-ylsulfonyl)-4-bromo-benzoyl]amino]benzoate Formula: C20H20BrN2O5S- MolecularWeight: 480.3522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)[O-])Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)[O-])Br

InChI

InChI=1S/C20H21BrN2O5S/c21-17-10-7-15(19(24)22-16-8-5-14(6-9-16)20(25)26)13-18(17)29(27,28)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2,(H,22,24)(H,25,26)/p-1