N-[3-(4-methylpiperazin-1-yl)propyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-[3-(4-methylpiperazin-1-yl)propyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-[3-(4-methylpiperazin-1-yl)propyl]-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-[3-(4-methyl-1-piperazinyl)propyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[3-(4-methylpiperazin-1-yl)propyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-[3-(4-methylpiperazino)propyl]acetamide Formula: C17H27N5O5S MolecularWeight: 413.49178

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C17H27N5O5S/c1-19-9-11-20(12-10-19)8-4-7-18-17(23)14-21(28(2,26)27)15-5-3-6-16(13-15)22(24)25/h3,5-6,13H,4,7-12,14H2,1-2H3,(H,18,23)