N-[(2-ethoxypyridin-3-yl)methyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(2-ethoxypyridin-3-yl)methyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(2-ethoxy-3-pyridyl)methyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(2-ethoxy-3-pyridinyl)methyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(2-ethoxypyridin-3-yl)methyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: (2-ethoxy-3-pyridyl)methyl-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C18H22N4O6S MolecularWeight: 422.45548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC=N1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O6S/c1-2-28-18-14(4-3-7-19-18)13-20-16-6-5-15(12-17(16)22(23)24)29(25,26)21-8-10-27-11-9-21/h3-7,12,20H,2,8-11,13H2,1H3