N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[[4-(1-imidazolyl)phenyl]methyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(4-imidazol-1-ylbenzyl)-2-methyl-5-nitro-benzenesulfonamide Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C17H16N4O4S/c1-13-2-5-16(21(22)23)10-17(13)26(24,25)19-11-14-3-6-15(7-4-14)20-9-8-18-12-20/h2-10,12,19H,11H2,1H3