N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]pyridine-3-sulfonamide

Systemtic Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]pyridine-3-sulfonamide Openeye Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]pyridine-3-sulfonamide CAS Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-3-pyridinesulfonamide IUPAC Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]pyridine-3-sulfonamide Traditional Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]pyridine-3-sulfonamide Formula: C14H15N3O6S2 MolecularWeight: 385.4154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NS(=O)(=O)C2=CN=CC=C2

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NS(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C14H15N3O6S2/c1-10-6-12(16-25(22,23)13-4-3-5-15-8-13)7-11(2)14(10)24(20,21)9-17(18)19/h3-8,16H,9H2,1-2H3