N-[(5-fluoranyl-1-benzothiophen-2-yl)methyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(5-fluoranyl-1-benzothiophen-2-yl)methyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(5-fluorobenzothiophen-2-yl)methyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: (5-fluorobenzothiophen-2-yl)methyl-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C19H18FN3O5S2 MolecularWeight: 451.491723

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC4=C(S3)C=CC(=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC4=C(S3)C=CC(=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18FN3O5S2/c20-14-1-4-19-13(9-14)10-15(29-19)12-21-17-3-2-16(11-18(17)23(24)25)30(26,27)22-5-7-28-8-6-22/h1-4,9-11,21H,5-8,12H2