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

Systemtic Name: ethanedioic acid; 1-(4-morpholin-4-ylsulfonylphenyl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine Openeye Name: N-[(2-benzyloxyphenyl)methyl]-1-(4-morpholinosulfonylphenyl)methanamine; oxalic acid CAS Name: 1-[4-(4-morpholinylsulfonyl)phenyl]-N-[(2-phenylmethoxyphenyl)methyl]methanamine; oxalic acid IUPAC Name: 1-(4-morpholin-4-ylsulfonylphenyl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine; oxalic acid Traditional Name: (2-benzoxybenzyl)-(4-morpholinosulfonylbenzyl)amine; oxalic acid Formula: C27H30N2O8S MolecularWeight: 542.6007

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CNCC3=CC=CC=C3OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CNCC3=CC=CC=C3OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H28N2O4S.C2H2O4/c28-32(29,27-14-16-30-17-15-27)24-12-10-21(11-13-24)18-26-19-23-8-4-5-9-25(23)31-20-22-6-2-1-3-7-22;3-1(4)2(5)6/h1-13,26H,14-20H2;(H,3,4)(H,5,6)