2-[methyl-[4-(methylamino)-3-nitro-phenyl]sulfonyl-amino]-N-phenethyl-ethanamide

Systemtic Name: 2-[methyl-[4-(methylamino)-3-nitro-phenyl]sulfonyl-amino]-N-phenethyl-ethanamide Openeye Name: 2-[methyl-[4-(methylamino)-3-nitro-phenyl]sulfonyl-amino]-N-phenethyl-acetamide CAS Name: 2-[methyl-[4-(methylamino)-3-nitrophenyl]sulfonylamino]-N-phenethylacetamide IUPAC Name: 2-[methyl-[4-(methylamino)-3-nitrophenyl]sulfonylamino]-N-phenethylacetamide Traditional Name: 2-[methyl-[4-(methylamino)-3-nitro-phenyl]sulfonyl-amino]-N-phenethyl-acetamide Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5S/c1-19-16-9-8-15(12-17(16)22(24)25)28(26,27)21(2)13-18(23)20-11-10-14-6-4-3-5-7-14/h3-9,12,19H,10-11,13H2,1-2H3,(H,20,23)