ethanedioic acid; N-methyl-4-[[(4-morpholin-4-ylsulfonylphenyl)methylamino]methyl]-N-phenyl-aniline

Systemtic Name: ethanedioic acid; N-methyl-4-[[(4-morpholin-4-ylsulfonylphenyl)methylamino]methyl]-N-phenyl-aniline Openeye Name: N-methyl-4-[[(4-morpholinosulfonylphenyl)methylamino]methyl]-N-phenyl-aniline; oxalic acid CAS Name: N-methyl-4-[[[4-(4-morpholinylsulfonyl)phenyl]methylamino]methyl]-N-phenylaniline; oxalic acid IUPAC Name: N-methyl-4-[[(4-morpholin-4-ylsulfonylphenyl)methylamino]methyl]-N-phenylaniline; oxalic acid Traditional Name: methyl-[4-[[(4-morpholinosulfonylbenzyl)amino]methyl]phenyl]-phenyl-amine; oxalic acid Formula: C27H31N3O7S MolecularWeight: 541.61594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=CC=C(C=C2)CNCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C1=CC=CC=C1)C2=CC=C(C=C2)CNCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H29N3O3S.C2H2O4/c1-27(23-5-3-2-4-6-23)24-11-7-21(8-12-24)19-26-20-22-9-13-25(14-10-22)32(29,30)28-15-17-31-18-16-28;3-1(4)2(5)6/h2-14,26H,15-20H2,1H3;(H,3,4)(H,5,6)