5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)-2-nitro-aniline

Systemtic Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)-2-nitro-aniline Openeye Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-isobutyl-2-nitro-aniline CAS Name: 5-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-N-(2-methylpropyl)-2-nitroaniline IUPAC Name: 5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)-2-nitroaniline Traditional Name: [5-(4-brosylpiperazino)-2-nitro-phenyl]-isobutyl-amine Formula: C20H25BrN4O4S MolecularWeight: 497.4059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H25BrN4O4S/c1-15(2)14-22-19-13-17(5-8-20(19)25(26)27)23-9-11-24(12-10-23)30(28,29)18-6-3-16(21)4-7-18/h3-8,13,15,22H,9-12,14H2,1-2H3