3-nitro-N-(1-phenethylbenzimidazol-5-yl)benzenesulfonamide

Systemtic Name: 3-nitro-N-(1-phenethylbenzimidazol-5-yl)benzenesulfonamide Openeye Name: 3-nitro-N-(1-phenethylbenzimidazol-5-yl)benzenesulfonamide CAS Name: 3-nitro-N-(1-phenethyl-5-benzimidazolyl)benzenesulfonamide IUPAC Name: 3-nitro-N-(1-phenethylbenzimidazol-5-yl)benzenesulfonamide Traditional Name: 3-nitro-N-(1-phenethylbenzimidazol-5-yl)benzenesulfonamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=NC3=C2C=CC(=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=NC3=C2C=CC(=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c26-25(27)18-7-4-8-19(14-18)30(28,29)23-17-9-10-21-20(13-17)22-15-24(21)12-11-16-5-2-1-3-6-16/h1-10,13-15,23H,11-12H2