(phenylmethyl) 3-[4-[acridin-9-ylcarbonyl-(4-methylphenyl)sulfonyl-amino]phenyl]propanoate

Systemtic Name: (phenylmethyl) 3-[4-[acridin-9-ylcarbonyl-(4-methylphenyl)sulfonyl-amino]phenyl]propanoate Openeye Name: benzyl 3-[4-[acridine-9-carbonyl(p-tolylsulfonyl)amino]phenyl]propanoate CAS Name: 3-[4-[[9-acridinyl(oxo)methyl]-(4-methylphenyl)sulfonylamino]phenyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-[acridine-9-carbonyl-(4-methylphenyl)sulfonylamino]phenyl]propanoate Traditional Name: 3-[4-[acridine-9-carbonyl(tosyl)amino]phenyl]propionic acid benzyl ester Formula: C37H30N2O5S MolecularWeight: 614.7095

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)CCC(=O)OCC3=CC=CC=C3)C(=O)C4=C5C=CC=CC5=NC6=CC=CC=C64

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)CCC(=O)OCC3=CC=CC=C3)C(=O)C4=C5C=CC=CC5=NC6=CC=CC=C64

InChI

InChI=1S/C37H30N2O5S/c1-26-15-22-30(23-16-26)45(42,43)39(37(41)36-31-11-5-7-13-33(31)38-34-14-8-6-12-32(34)36)29-20-17-27(18-21-29)19-24-35(40)44-25-28-9-3-2-4-10-28/h2-18,20-23H,19,24-25H2,1H3