N-[4-(cyanomethyl)phenyl]-4-methyl-3-nitro-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CC#N)[N+](=O)[O-]

InChI

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