N-tert-butyl-2-[methyl-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]amino]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O5S/c1-18(2,3)19-17(24)13-21(5)15-7-6-14(12-16(15)23(25)26)29(27,28)22-10-8-20(4)9-11-22/h6-7,12H,8-11,13H2,1-5H3,(H,19,24)