ethanedioic acid; N-[(2-fluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine

Systemtic Name: ethanedioic acid; N-[(2-fluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine Openeye Name: N-[(2-fluorophenyl)methyl]-1-(4-morpholinosulfonylphenyl)methanamine; oxalic acid CAS Name: N-[(2-fluorophenyl)methyl]-1-[4-(4-morpholinylsulfonyl)phenyl]methanamine; oxalic acid IUPAC Name: N-[(2-fluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine; oxalic acid Traditional Name: (2-fluorobenzyl)-(4-morpholinosulfonylbenzyl)amine; oxalic acid Formula: C20H23FN2O7S MolecularWeight: 454.469223

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CNCC3=CC=CC=C3F.C(=O)(C(=O)O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CNCC3=CC=CC=C3F.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21FN2O3S.C2H2O4/c19-18-4-2-1-3-16(18)14-20-13-15-5-7-17(8-6-15)25(22,23)21-9-11-24-12-10-21;3-1(4)2(5)6/h1-8,20H,9-14H2;(H,3,4)(H,5,6)