N'-(4-methylphenyl)sulfonyl-N-[(3-nitrophenyl)carbonylamino]benzenecarboximidamide

Systemtic Name: N'-(4-methylphenyl)sulfonyl-N-[(3-nitrophenyl)carbonylamino]benzenecarboximidamide Openeye Name: N-[(3-nitrobenzoyl)amino]-N'-(p-tolylsulfonyl)benzamidine CAS Name: N'-(4-methylphenyl)sulfonyl-N-[[(3-nitrophenyl)-oxomethyl]amino]benzenecarboximidamide IUPAC Name: N'-(4-methylphenyl)sulfonyl-N-[(3-nitrobenzoyl)amino]benzenecarboximidamide Traditional Name: N-[(3-nitrobenzoyl)amino]-N'-tosyl-benzamidine Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5S/c1-15-10-12-19(13-11-15)31(29,30)24-20(16-6-3-2-4-7-16)22-23-21(26)17-8-5-9-18(14-17)25(27)28/h2-14H,1H3,(H,22,24)(H,23,26)