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

Systemtic Name: N-butyl-2-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]acetamide CAS Name: N-butyl-2-[4-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]-1-piperazinyl]acetamide IUPAC Name: N-butyl-2-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-yl]acetamide Traditional Name: N-butyl-2-[4-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]piperazino]acetamide Formula: C21H34N6O5S MolecularWeight: 482.59686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H34N6O5S/c1-3-4-7-22-21(28)17-24-10-12-25(13-11-24)19-6-5-18(16-20(19)27(29)30)33(31,32)26-14-8-23(2)9-15-26/h5-6,16H,3-4,7-15,17H2,1-2H3,(H,22,28)