5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-methyl-2-nitro-aniline

Systemtic Name: 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-methyl-2-nitro-aniline Openeye Name: 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-methyl-2-nitro-aniline CAS Name: 5-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazinyl]-N-methyl-2-nitroaniline IUPAC Name: 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-methyl-2-nitroaniline Traditional Name: [5-[4-(3,4-dichlorophenyl)sulfonylpiperazino]-2-nitro-phenyl]-methyl-amine Formula: C17H18Cl2N4O4S MolecularWeight: 445.32022

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H18Cl2N4O4S/c1-20-16-10-12(2-5-17(16)23(24)25)21-6-8-22(9-7-21)28(26,27)13-3-4-14(18)15(19)11-13/h2-5,10-11,20H,6-9H2,1H3