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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])C3=CC=CC(=C3)C

Isomeric SMILES

CCN(CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])C3=CC=CC(=C3)C

InChI

InChI=1S/C21H28N4O5S/c1-3-23(18-6-4-5-17(2)15-18)10-9-22-20-8-7-19(16-21(20)25(26)27)31(28,29)24-11-13-30-14-12-24/h4-8,15-16,22H,3,9-14H2,1-2H3