N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-pyridin-2-amine

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-pyridin-2-amine Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-nitro-pyridin-2-amine CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-nitro-2-pyridinamine IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-nitropyridin-2-amine Traditional Name: (4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-(3-nitro-2-pyridyl)amine Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC2=C(C=CC=N2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC2=C(C=CC=N2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H20N4O5S/c1-2-26-15-8-7-13(19-17-14(21(22)23)6-5-9-18-17)12-16(15)27(24,25)20-10-3-4-11-20/h5-9,12H,2-4,10-11H2,1H3,(H,18,19)