N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: (2-methoxy-5-methyl-benzyl)-methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN(C)C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN(C)C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

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