4-ethoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[4-(4-mesylpiperazino)phenyl]-3-nitro-benzamide Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O6S/c1-3-30-19-9-4-15(14-18(19)24(26)27)20(25)21-16-5-7-17(8-6-16)22-10-12-23(13-11-22)31(2,28)29/h4-9,14H,3,10-13H2,1-2H3,(H,21,25)