N-(3-imidazol-1-ylpropyl)-3,4-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3,4-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-(3-imidazol-1-ylpropyl)-3,4-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[3-(1-imidazolyl)propyl]-3,4-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-3,4-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-(3-imidazol-1-ylpropyl)-3,4-dimethyl-5-nitro-benzenesulfonamide Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)NCCCN2C=CN=C2

Isomeric SMILES

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)NCCCN2C=CN=C2

InChI

InChI=1S/C14H18N4O4S/c1-11-8-13(9-14(12(11)2)18(19)20)23(21,22)16-4-3-6-17-7-5-15-10-17/h5,7-10,16H,3-4,6H2,1-2H3