tert-butyl 2-[[4-[dodecan-4-yl(phenylcarbonyl)amino]phenyl]sulfonylamino]ethanoate

Systemtic Name: tert-butyl 2-[[4-[dodecan-4-yl(phenylcarbonyl)amino]phenyl]sulfonylamino]ethanoate Openeye Name: tert-butyl 2-[[4-[benzoyl(1-propylnonyl)amino]phenyl]sulfonylamino]acetate CAS Name: 2-[[4-[benzoyl(dodecan-4-yl)amino]phenyl]sulfonylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[benzoyl(dodecan-4-yl)amino]phenyl]sulfonylamino]acetate Traditional Name: 2-[[4-[benzoyl(1-propylnonyl)amino]phenyl]sulfonylamino]acetic acid tert-butyl ester Formula: C31H46N2O5S MolecularWeight: 558.77234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCC)N(C1=CC=C(C=C1)S(=O)(=O)NCC(=O)OC(C)(C)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC(CCC)N(C1=CC=C(C=C1)S(=O)(=O)NCC(=O)OC(C)(C)C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C31H46N2O5S/c1-6-8-9-10-11-15-19-26(16-7-2)33(30(35)25-17-13-12-14-18-25)27-20-22-28(23-21-27)39(36,37)32-24-29(34)38-31(3,4)5/h12-14,17-18,20-23,26,32H,6-11,15-16,19,24H2,1-5H3