(3-methylpentanoylamino) 4-[4-(3-methylpentanoylsulfinamoyloxy)phenyl]benzenesulfinate

Systemtic Name: (3-methylpentanoylamino) 4-[4-(3-methylpentanoylsulfinamoyloxy)phenyl]benzenesulfinate Openeye Name: (3-methylpentanoylamino) 4-[4-(3-methylpentanoylsulfinamoyloxy)phenyl]benzenesulfinate CAS Name: 4-[4-(3-methyl-1-oxopentyl)sulfinamoyloxyphenyl]benzenesulfinic acid [(3-methyl-1-oxopentyl)amino] ester IUPAC Name: (3-methylpentanoylamino) 4-[4-(3-methylpentanoylsulfinamoyloxy)phenyl]benzenesulfinate Traditional Name: 4-[4-(3-methylpentanoylsulfinamoyloxy)phenyl]benzenesulfinic acid (3-methylpentanoylamino) ester Formula: C24H32N2O6S2 MolecularWeight: 508.65068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(=O)NOS(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OS(=O)NC(=O)CC(C)CC

Isomeric SMILES

CCC(C)CC(=O)NOS(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OS(=O)NC(=O)CC(C)CC

InChI

InChI=1S/C24H32N2O6S2/c1-5-17(3)15-23(27)25-32-33(29)22-13-9-20(10-14-22)19-7-11-21(12-8-19)31-34(30)26-24(28)16-18(4)6-2/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,25,27)(H,26,28)