N-[[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methyl]-2-phenyl-ethanamine; ethanedioic acid

Systemtic Name: N-[[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methyl]-2-phenyl-ethanamine; ethanedioic acid Openeye Name: N-[[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methyl]-2-phenyl-ethanamine; oxalic acid CAS Name: N-[[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]methyl]-2-phenylethanamine; oxalic acid IUPAC Name: N-[[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methyl]-2-phenylethanamine; oxalic acid Traditional Name: [2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methyl-phenethyl-amine; oxalic acid Formula: C27H33N3O7S MolecularWeight: 543.63182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)CNCCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)CNCCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H31N3O3S.C2H2O4/c1-20-17-23(19-26-12-11-22-7-4-3-5-8-22)21(2)28(20)24-9-6-10-25(18-24)32(29,30)27-13-15-31-16-14-27;3-1(4)2(5)6/h3-10,17-18,26H,11-16,19H2,1-2H3;(H,3,4)(H,5,6)