(phenylmethyl) 4-[acridin-9-yloxycarbonyl-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: (phenylmethyl) 4-[acridin-9-yloxycarbonyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: benzyl 4-[acridin-9-yloxycarbonyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[[9-acridinyloxy(oxo)methyl]-(4-methylphenyl)sulfonylamino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[acridin-9-yloxycarbonyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[acridin-9-yloxycarbonyl(tosyl)amino]benzoic acid benzyl ester Formula: C35H26N2O6S MolecularWeight: 602.65574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)C(=O)OC4=C5C=CC=CC5=NC6=CC=CC=C64

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)C(=O)OC4=C5C=CC=CC5=NC6=CC=CC=C64

InChI

InChI=1S/C35H26N2O6S/c1-24-15-21-28(22-16-24)44(40,41)37(27-19-17-26(18-20-27)34(38)42-23-25-9-3-2-4-10-25)35(39)43-33-29-11-5-7-13-31(29)36-32-14-8-6-12-30(32)33/h2-22H,23H2,1H3