[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 4-[(4-bromophenyl)sulfonylamino]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 4-(brosylamino)benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2O5S/c22-17-7-11-19(12-8-17)30(27,28)23-18-9-5-16(6-10-18)21(26)29-15-20(25)24-13-3-1-2-4-14-24/h5-12,23H,1-4,13-15H2