ethanedioic acid; 2-methyl-N-[3-[4-(2-propan-2-ylfuran-3-yl)sulfonylphenoxy]propyl]propan-2-amine

Systemtic Name: ethanedioic acid; 2-methyl-N-[3-[4-(2-propan-2-ylfuran-3-yl)sulfonylphenoxy]propyl]propan-2-amine Openeye Name: N-[3-[4-[(2-isopropyl-3-furyl)sulfonyl]phenoxy]propyl]-2-methyl-propan-2-amine; oxalic acid CAS Name: 2-methyl-N-[3-[4-[(2-propan-2-yl-3-furanyl)sulfonyl]phenoxy]propyl]-2-propanamine; oxalic acid IUPAC Name: 2-methyl-N-[3-[4-(2-propan-2-ylfuran-3-yl)sulfonylphenoxy]propyl]propan-2-amine; oxalic acid Traditional Name: tert-butyl-[3-[4-[(2-isopropyl-3-furyl)sulfonyl]phenoxy]propyl]amine; oxalic acid Formula: C22H31NO8S MolecularWeight: 469.54844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CO1)S(=O)(=O)C2=CC=C(C=C2)OCCCNC(C)(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C1=C(C=CO1)S(=O)(=O)C2=CC=C(C=C2)OCCCNC(C)(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H29NO4S.C2H2O4/c1-15(2)19-18(11-14-25-19)26(22,23)17-9-7-16(8-10-17)24-13-6-12-21-20(3,4)5;3-1(4)2(5)6/h7-11,14-15,21H,6,12-13H2,1-5H3;(H,3,4)(H,5,6)