2-[(2,4-dinitrophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-phenethyl-ethanamide

Systemtic Name: 2-[(2,4-dinitrophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-phenethyl-ethanamide Openeye Name: 2-[(2,4-dinitrophenyl)sulfonyl-(2-morpholinoethyl)amino]-N-(2-furylmethyl)-N-phenethyl-acetamide CAS Name: 2-[(2,4-dinitrophenyl)sulfonyl-[2-(4-morpholinyl)ethyl]amino]-N-(2-furanylmethyl)-N-phenethylacetamide IUPAC Name: 2-[(2,4-dinitrophenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-phenethylacetamide Traditional Name: 2-[(2,4-dinitrophenyl)sulfonyl-(2-morpholinoethyl)amino]-N-(2-furfuryl)-N-phenethyl-acetamide Formula: C27H31N5O9S MolecularWeight: 601.62814

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN(CC(=O)N(CCC2=CC=CC=C2)CC3=CC=CO3)S(=O)(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCN(CC(=O)N(CCC2=CC=CC=C2)CC3=CC=CO3)S(=O)(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H31N5O9S/c33-27(29(20-24-7-4-16-41-24)11-10-22-5-2-1-3-6-22)21-30(13-12-28-14-17-40-18-15-28)42(38,39)26-9-8-23(31(34)35)19-25(26)32(36)37/h1-9,16,19H,10-15,17-18,20-21H2