N-methyl-4-methylsulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline

Systemtic Name: N-methyl-4-methylsulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline Openeye Name: N-methyl-4-methylsulfonyl-2-nitro-N-(3-pyridylmethyl)aniline CAS Name: N-methyl-4-methylsulfonyl-2-nitro-N-(3-pyridinylmethyl)aniline IUPAC Name: N-methyl-4-methylsulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline Traditional Name: (4-mesyl-2-nitro-phenyl)-methyl-(3-pyridylmethyl)amine Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=CC=C1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CN=CC=C1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4S/c1-16(10-11-4-3-7-15-9-11)13-6-5-12(22(2,20)21)8-14(13)17(18)19/h3-9H,10H2,1-2H3