N,N-dimethyl-3-(4-methylsulfonylphenoxy)-3-phenyl-propan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N,N-dimethyl-3-(4-methylsulfonylphenoxy)-3-phenyl-propan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N,N-dimethyl-3-(4-methylsulfonylphenoxy)-3-phenyl-propan-1-amine CAS Name: N,N-dimethyl-3-(4-methylsulfonylphenoxy)-3-phenyl-1-propanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N,N-dimethyl-3-(4-methylsulfonylphenoxy)-3-phenylpropan-1-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; [3-(4-mesylphenoxy)-3-phenyl-propyl]-dimethyl-amine Formula: C24H31NO10S MolecularWeight: 525.56864

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)S(=O)(=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN(C)CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)S(=O)(=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C18H23NO3S.C6H8O7/c1-19(2)14-13-18(15-7-5-4-6-8-15)22-16-9-11-17(12-10-16)23(3,20)21;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-12,18H,13-14H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)