N-(cyclohexylmethyl)-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-(cyclohexylmethyl)-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-(cyclohexylmethyl)-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-(cyclohexylmethyl)-N-methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-(cyclohexylmethyl)-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: cyclohexylmethyl-methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C19H30N4O4S MolecularWeight: 410.5309

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O4S/c1-20-10-12-22(13-11-20)28(26,27)17-8-9-18(19(14-17)23(24)25)21(2)15-16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13,15H2,1-2H3