2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-1-yl)propyl]ethanamide

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide CAS Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[3-(4-methyl-1-piperazinyl)propyl]acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-(N-mesyl-2-methyl-5-nitro-anilino)-N-[3-(4-methylpiperazino)propyl]acetamide Formula: C18H29N5O5S MolecularWeight: 427.51836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCN2CCN(CC2)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCN2CCN(CC2)C)S(=O)(=O)C

InChI

InChI=1S/C18H29N5O5S/c1-15-5-6-16(23(25)26)13-17(15)22(29(3,27)28)14-18(24)19-7-4-8-21-11-9-20(2)10-12-21/h5-6,13H,4,7-12,14H2,1-3H3,(H,19,24)