N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[3-methyl-2-(4-methyl-1-piperazinyl)butyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[3-methyl-2-(4-methylpiperazino)butyl]amine Formula: C17H28N4O4S MolecularWeight: 384.49362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O4S/c1-13(2)17(20-9-7-19(3)8-10-20)12-18-15-6-5-14(26(4,24)25)11-16(15)21(22)23/h5-6,11,13,17-18H,7-10,12H2,1-4H3