1-[(4-fluorophenyl)methyl]-4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-1,4-diazepane

Systemtic Name: 1-[(4-fluorophenyl)methyl]-4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-1,4-diazepane Openeye Name: 1-[(4-fluorophenyl)methyl]-4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-1,4-diazepane CAS Name: 1-[(4-fluorophenyl)methyl]-4-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]-1,4-diazepane IUPAC Name: 1-[(4-fluorophenyl)methyl]-4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]-1,4-diazepane Traditional Name: 1-(4-fluorobenzyl)-4-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]-1,4-diazepane Formula: C23H30FN5O4S MolecularWeight: 491.578803

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCN(CC3)CC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCN(CC3)CC4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C23H30FN5O4S/c1-25-11-15-28(16-12-25)34(32,33)21-7-8-22(23(17-21)29(30)31)27-10-2-9-26(13-14-27)18-19-3-5-20(24)6-4-19/h3-8,17H,2,9-16,18H2,1H3