N-[[(2-azanyl-2-oxidanylidene-ethyl)-(4-methylphenyl)sulfonyl-amino]methyl]-3-nitro-benzamide

Systemtic Name: N-[[(2-azanyl-2-oxidanylidene-ethyl)-(4-methylphenyl)sulfonyl-amino]methyl]-3-nitro-benzamide Openeye Name: N-[[(2-amino-2-oxo-ethyl)-(p-tolylsulfonyl)amino]methyl]-3-nitro-benzamide CAS Name: N-[[(2-amino-2-oxoethyl)-(4-methylphenyl)sulfonylamino]methyl]-3-nitrobenzamide IUPAC Name: N-[[(2-amino-2-oxoethyl)-(4-methylphenyl)sulfonylamino]methyl]-3-nitrobenzamide Traditional Name: N-[[(2-amino-2-keto-ethyl)-tosyl-amino]methyl]-3-nitro-benzamide Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O6S/c1-12-5-7-15(8-6-12)28(26,27)20(10-16(18)22)11-19-17(23)13-3-2-4-14(9-13)21(24)25/h2-9H,10-11H2,1H3,(H2,18,22)(H,19,23)