N-[[4-(ethoxymethyl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[[4-(ethoxymethyl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[[4-(ethoxymethyl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[[4-(ethoxymethyl)phenyl]methyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[[4-(ethoxymethyl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: [4-(ethoxymethyl)benzyl]-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOCC1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O5S/c1-3-30-16-18-6-4-17(5-7-18)15-22-20-9-8-19(14-21(20)25(26)27)31(28,29)24-12-10-23(2)11-13-24/h4-9,14,22H,3,10-13,15-16H2,1-2H3