octyl 3-(phenylsulfonylcarbamoylamino)benzoate

Systemtic Name: octyl 3-(phenylsulfonylcarbamoylamino)benzoate Openeye Name: octyl 3-(benzenesulfonylcarbamoylamino)benzoate CAS Name: 3-[[benzenesulfonamido(oxo)methyl]amino]benzoic acid octyl ester IUPAC Name: octyl 3-(benzenesulfonylcarbamoylamino)benzoate Traditional Name: 3-(besylcarbamoylamino)benzoic acid octyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=CC=C1)NC(=O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=CC=C1)NC(=O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H28N2O5S/c1-2-3-4-5-6-10-16-29-21(25)18-12-11-13-19(17-18)23-22(26)24-30(27,28)20-14-8-7-9-15-20/h7-9,11-15,17H,2-6,10,16H2,1H3,(H2,23,24,26)