4-(dimethylamino)-2-[[12-(4-dimethylaminophenyl)-12-phenyl-dodecanoyl]-methyl-amino]benzenesulfinic acid

Systemtic Name: 4-(dimethylamino)-2-[[12-(4-dimethylaminophenyl)-12-phenyl-dodecanoyl]-methyl-amino]benzenesulfinic acid Openeye Name: 4-(dimethylamino)-2-[[12-(4-dimethylaminophenyl)-12-phenyl-dodecanoyl]-methyl-amino]benzenesulfinic acid CAS Name: 4-(dimethylamino)-2-[[12-(4-dimethylaminophenyl)-1-oxo-12-phenyldodecyl]-methylamino]benzenesulfinic acid IUPAC Name: 4-(dimethylamino)-2-[[12-(4-dimethylaminophenyl)-12-phenyldodecanoyl]-methylamino]benzenesulfinic acid Traditional Name: 4-(dimethylamino)-2-[[12-(4-dimethylaminophenyl)-12-phenyl-dodecanoyl]-methyl-amino]benzenesulfinic acid Formula: C35H49N3O3S MolecularWeight: 591.84686

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CCCCCCCCCCC(=O)N(C)C2=C(C=CC(=C2)N(C)C)S(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CCCCCCCCCCC(=O)N(C)C2=C(C=CC(=C2)N(C)C)S(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C35H49N3O3S/c1-36(2)30-23-21-29(22-24-30)32(28-17-13-12-14-18-28)19-15-10-8-6-7-9-11-16-20-35(39)38(5)33-27-31(37(3)4)25-26-34(33)42(40)41/h12-14,17-18,21-27,32H,6-11,15-16,19-20H2,1-5H3,(H,40,41)