4-(3-methylbutylsulfanyl)-3-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Openeye Name: 4-isopentylsulfanyl-3-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide CAS Name: 4-(3-methylbutylthio)-3-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Traditional Name: 4-(isoamylthio)-3-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S2/c1-14(2)10-12-29-19-8-5-16(13-18(19)23(25)26)20(24)22-11-9-15-3-6-17(7-4-15)30(21,27)28/h3-8,13-14H,9-12H2,1-2H3,(H,22,24)(H2,21,27,28)