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

Systemtic Name: N-[(5-fluoranyl-1-benzothiophen-2-yl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(5-fluorobenzothiophen-2-yl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: (5-fluorobenzothiophen-2-yl)methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C20H21FN4O4S2 MolecularWeight: 464.533543

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC4=C(S3)C=CC(=C4)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC4=C(S3)C=CC(=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C20H21FN4O4S2/c1-23-6-8-24(9-7-23)31(28,29)17-3-4-18(19(12-17)25(26)27)22-13-16-11-14-10-15(21)2-5-20(14)30-16/h2-5,10-12,22H,6-9,13H2,1H3