N'-ethyl-N-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-N'-phenyl-propane-1,3-diamine

Systemtic Name: N'-ethyl-N-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-N'-phenyl-propane-1,3-diamine Openeye Name: N'-ethyl-N-(4-morpholinosulfonyl-2-nitro-phenyl)-N'-phenyl-propane-1,3-diamine CAS Name: N'-ethyl-N-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-N'-phenylpropane-1,3-diamine IUPAC Name: N'-ethyl-N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N'-phenylpropane-1,3-diamine Traditional Name: ethyl-[3-(4-morpholinosulfonyl-2-nitro-anilino)propyl]-phenyl-amine Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCN(CCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O5S/c1-2-23(18-7-4-3-5-8-18)12-6-11-22-20-10-9-19(17-21(20)25(26)27)31(28,29)24-13-15-30-16-14-24/h3-5,7-10,17,22H,2,6,11-16H2,1H3