N-[(4-cyanophenyl)methyl]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(4-cyanophenyl)methyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(4-cyanophenyl)methyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(4-cyanophenyl)methyl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(4-cyanobenzyl)-N-methyl-3-nitro-benzenesulfonamide Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4S/c1-17(11-13-7-5-12(10-16)6-8-13)23(21,22)15-4-2-3-14(9-15)18(19)20/h2-9H,11H2,1H3