3-(4-cinnolin-3-ylsulfonylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-propan-1-amine; ethanedioic acid

Systemtic Name: 3-(4-cinnolin-3-ylsulfonylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-propan-1-amine; ethanedioic acid Openeye Name: 3-(4-cinnolin-3-ylsulfonylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-propan-1-amine; oxalic acid CAS Name: 3-[4-(3-cinnolinylsulfonyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-propanamine; oxalic acid IUPAC Name: 3-(4-cinnolin-3-ylsulfonylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropan-1-amine; oxalic acid Traditional Name: 3-(4-cinnolin-3-ylsulfonylphenoxy)propyl-homoveratryl-methyl-amine; oxalic acid Formula: C30H33N3O9S MolecularWeight: 611.66272

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCOC1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC=CC=C3N=N2)CCC4=CC(=C(C=C4)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CCCOC1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC=CC=C3N=N2)CCC4=CC(=C(C=C4)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H31N3O5S.C2H2O4/c1-31(17-15-21-9-14-26(34-2)27(19-21)35-3)16-6-18-36-23-10-12-24(13-11-23)37(32,33)28-20-22-7-4-5-8-25(22)29-30-28;3-1(4)2(5)6/h4-5,7-14,19-20H,6,15-18H2,1-3H3;(H,3,4)(H,5,6)