N-(2-methylpropyl)-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline

Systemtic Name: N-(2-methylpropyl)-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-isobutyl-2-nitro-aniline CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-N-(2-methylpropyl)-2-nitroaniline IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylpropyl)-2-nitroaniline Traditional Name: [5-(4-besylpiperazino)-2-nitro-phenyl]-isobutyl-amine Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4S/c1-16(2)15-21-19-14-17(8-9-20(19)24(25)26)22-10-12-23(13-11-22)29(27,28)18-6-4-3-5-7-18/h3-9,14,16,21H,10-13,15H2,1-2H3