4-(dimethylamino)-2-[[8-(4-dimethylaminophenyl)-8-phenyl-octanoyl]-methyl-amino]benzenesulfinic acid

Systemtic Name: 4-(dimethylamino)-2-[[8-(4-dimethylaminophenyl)-8-phenyl-octanoyl]-methyl-amino]benzenesulfinic acid Openeye Name: 4-(dimethylamino)-2-[[8-(4-dimethylaminophenyl)-8-phenyl-octanoyl]-methyl-amino]benzenesulfinic acid CAS Name: 4-(dimethylamino)-2-[[8-(4-dimethylaminophenyl)-1-oxo-8-phenyloctyl]-methylamino]benzenesulfinic acid IUPAC Name: 4-(dimethylamino)-2-[[8-(4-dimethylaminophenyl)-8-phenyloctanoyl]-methylamino]benzenesulfinic acid Traditional Name: 4-(dimethylamino)-2-[[8-(4-dimethylaminophenyl)-8-phenyl-octanoyl]-methyl-amino]benzenesulfinic acid Formula: C31H41N3O3S MolecularWeight: 535.74054

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H41N3O3S/c1-32(2)26-19-17-25(18-20-26)28(24-13-9-8-10-14-24)15-11-6-7-12-16-31(35)34(5)29-23-27(33(3)4)21-22-30(29)38(36)37/h8-10,13-14,17-23,28H,6-7,11-12,15-16H2,1-5H3,(H,36,37)