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

Systemtic Name: N'-methyl-N-(4-methylsulfonyl-2-nitro-phenyl)-N'-phenyl-propane-1,3-diamine Openeye Name: N'-methyl-N-(4-methylsulfonyl-2-nitro-phenyl)-N'-phenyl-propane-1,3-diamine CAS Name: N'-methyl-N-(4-methylsulfonyl-2-nitrophenyl)-N'-phenylpropane-1,3-diamine IUPAC Name: N'-methyl-N-(4-methylsulfonyl-2-nitrophenyl)-N'-phenylpropane-1,3-diamine Traditional Name: 3-(4-mesyl-2-nitro-anilino)propyl-methyl-phenyl-amine Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-19(14-7-4-3-5-8-14)12-6-11-18-16-10-9-15(25(2,23)24)13-17(16)20(21)22/h3-5,7-10,13,18H,6,11-12H2,1-2H3