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

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: (2,4-dimethylbenzyl)-methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c1-16-5-6-18(17(2)13-16)15-23(4)20-8-7-19(14-21(20)25(26)27)30(28,29)24-11-9-22(3)10-12-24/h5-8,13-14H,9-12,15H2,1-4H3