N-(2-methylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline

Systemtic Name: N-(2-methylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline Openeye Name: N-isobutyl-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline CAS Name: N-(2-methylpropyl)-5-(4-methylsulfonyl-1-piperazinyl)-2-nitroaniline IUPAC Name: N-(2-methylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline Traditional Name: isobutyl-[5-(4-mesylpiperazino)-2-nitro-phenyl]amine Formula: C15H24N4O4S MolecularWeight: 356.44046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N4O4S/c1-12(2)11-16-14-10-13(4-5-15(14)19(20)21)17-6-8-18(9-7-17)24(3,22)23/h4-5,10,12,16H,6-9,11H2,1-3H3