N-[3-(5,6-dimethylbenzimidazol-1-yl)-3-oxidanylidene-propyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[3-(5,6-dimethylbenzimidazol-1-yl)-3-oxidanylidene-propyl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-(5,6-dimethylbenzimidazol-1-yl)-3-oxo-propyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-(5,6-dimethyl-1-benzimidazolyl)-3-oxopropyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(5,6-dimethylbenzimidazol-1-yl)-3-oxopropyl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-(5,6-dimethylbenzimidazol-1-yl)-3-keto-propyl]-4-nitro-benzenesulfonamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-12-9-16-17(10-13(12)2)21(11-19-16)18(23)7-8-20-28(26,27)15-5-3-14(4-6-15)22(24)25/h3-6,9-11,20H,7-8H2,1-2H3