N-ethyl-N-[(3-fluorophenyl)methyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-ethyl-N-[(3-fluorophenyl)methyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-ethyl-N-[(3-fluorophenyl)methyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-ethyl-N-[(3-fluorophenyl)methyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-ethyl-N-[(3-fluorophenyl)methyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: ethyl-(3-fluorobenzyl)-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C19H22FN3O5S MolecularWeight: 423.458483

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)F)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC(=CC=C1)F)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H22FN3O5S/c1-2-21(14-15-4-3-5-16(20)12-15)18-7-6-17(13-19(18)23(24)25)29(26,27)22-8-10-28-11-9-22/h3-7,12-13H,2,8-11,14H2,1H3