2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-sulfamoylphenyl)methyl]ethanamide

Systemtic Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-sulfamoylphenyl)methyl]ethanamide Openeye Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide CAS Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]-N-[(4-sulfamoylphenyl)methyl]acetamide IUPAC Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-sulfamoylphenyl)methyl]acetamide Traditional Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]-N-(4-sulfamoylbenzyl)acetamide Formula: C16H15N5O5S2 MolecularWeight: 421.4508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C16H15N5O5S2/c17-28(25,26)12-4-1-10(2-5-12)8-18-15(22)9-27-16-19-13-6-3-11(21(23)24)7-14(13)20-16/h1-7H,8-9H2,(H,18,22)(H,19,20)(H2,17,25,26)