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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O5S/c1-4-30-18-7-5-17(6-8-18)16-23(3)20-10-9-19(15-21(20)25(26)27)31(28,29)24-13-11-22(2)12-14-24/h5-10,15H,4,11-14,16H2,1-3H3