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

Systemtic Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)-2-nitro-aniline Openeye Name: N-isobutyl-2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]aniline CAS Name: 5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-N-(2-methylpropyl)-2-nitroaniline IUPAC Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)-2-nitroaniline Traditional Name: isobutyl-[2-nitro-5-(4-tosylpiperazino)phenyl]amine Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC(C)C

InChI

InChI=1S/C21H28N4O4S/c1-16(2)15-22-20-14-18(6-9-21(20)25(26)27)23-10-12-24(13-11-23)30(28,29)19-7-4-17(3)5-8-19/h4-9,14,16,22H,10-13,15H2,1-3H3