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

Systemtic Name: N'-ethyl-N-(4-methylsulfonyl-2-nitro-phenyl)-N'-phenyl-propane-1,3-diamine Openeye Name: N'-ethyl-N-(4-methylsulfonyl-2-nitro-phenyl)-N'-phenyl-propane-1,3-diamine CAS Name: N'-ethyl-N-(4-methylsulfonyl-2-nitrophenyl)-N'-phenylpropane-1,3-diamine IUPAC Name: N'-ethyl-N-(4-methylsulfonyl-2-nitrophenyl)-N'-phenylpropane-1,3-diamine Traditional Name: ethyl-[3-(4-mesyl-2-nitro-anilino)propyl]-phenyl-amine Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCN(CCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C18H23N3O4S/c1-3-20(15-8-5-4-6-9-15)13-7-12-19-17-11-10-16(26(2,24)25)14-18(17)21(22)23/h4-6,8-11,14,19H,3,7,12-13H2,1-2H3