ethanedioic acid; N-[4-[3-(methylamino)-1-phenyl-propoxy]phenyl]methanesulfonamide

Systemtic Name: ethanedioic acid; N-[4-[3-(methylamino)-1-phenyl-propoxy]phenyl]methanesulfonamide Openeye Name: N-[4-[3-(methylamino)-1-phenyl-propoxy]phenyl]methanesulfonamide; oxalic acid CAS Name: N-[4-[3-(methylamino)-1-phenylpropoxy]phenyl]methanesulfonamide; oxalic acid IUPAC Name: N-[4-[3-(methylamino)-1-phenylpropoxy]phenyl]methanesulfonamide; oxalic acid Traditional Name: N-[4-[3-(methylamino)-1-phenyl-propoxy]phenyl]methanesulfonamide; oxalic acid Formula: C19H24N2O7S MolecularWeight: 424.46806

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)NS(=O)(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)NS(=O)(=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H22N2O3S.C2H2O4/c1-18-13-12-17(14-6-4-3-5-7-14)22-16-10-8-15(9-11-16)19-23(2,20)21;3-1(4)2(5)6/h3-11,17-19H,12-13H2,1-2H3;(H,3,4)(H,5,6)