1-methyl-N-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoyl]pyrrole-2-carboxamide

Systemtic Name: 1-methyl-N-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoyl]pyrrole-2-carboxamide Openeye Name: 1-methyl-N-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetyl]pyrrole-2-carboxamide CAS Name: 1-methyl-N-[2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-oxoethyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-N-[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]pyrrole-2-carboxamide Traditional Name: 1-methyl-N-[2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetyl]pyrrole-2-carboxamide Formula: C18H20N4O7S MolecularWeight: 436.439

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O7S/c1-20-8-4-5-14(20)18(24)19-17(23)12-29-16-7-6-13(11-15(16)22(25)26)30(27,28)21-9-2-3-10-21/h4-8,11H,2-3,9-10,12H2,1H3,(H,19,23,24)