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

Systemtic Name: 4-methylsulfonyl-2-nitro-N-(pyridin-4-ylmethyl)aniline Openeye Name: 4-methylsulfonyl-2-nitro-N-(4-pyridylmethyl)aniline CAS Name: 4-methylsulfonyl-2-nitro-N-(pyridin-4-ylmethyl)aniline IUPAC Name: 4-methylsulfonyl-2-nitro-N-(pyridin-4-ylmethyl)aniline Traditional Name: (4-mesyl-2-nitro-phenyl)-(4-pyridylmethyl)amine Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c1-21(19,20)11-2-3-12(13(8-11)16(17)18)15-9-10-4-6-14-7-5-10/h2-8,15H,9H2,1H3