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

Systemtic Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-propan-2-yl-aniline Openeye Name: N-isopropyl-2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]aniline CAS Name: 5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitro-N-propan-2-ylaniline IUPAC Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-propan-2-ylaniline Traditional Name: isopropyl-[2-nitro-5-(4-tosylpiperazino)phenyl]amine Formula: C20H26N4O4S MolecularWeight: 418.50984

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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-])NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4S/c1-15(2)21-19-14-17(6-9-20(19)24(25)26)22-10-12-23(13-11-22)29(27,28)18-7-4-16(3)5-8-18/h4-9,14-15,21H,10-13H2,1-3H3