[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 3-[(4-bromophenyl)sulfonylamino]benzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 3-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 3-(brosylamino)benzoic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC(CC1)NC(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2O5S/c22-16-9-11-19(12-10-16)30(27,28)24-18-8-4-5-15(13-18)21(26)29-14-20(25)23-17-6-2-1-3-7-17/h4-5,8-13,17,24H,1-3,6-7,14H2,(H,23,25)