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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CN(CCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C18H23N3O4S/c1-20(14-15-7-4-3-5-8-15)12-6-11-19-17-10-9-16(26(2,24)25)13-18(17)21(22)23/h3-5,7-10,13,19H,6,11-12,14H2,1-2H3