4-(4-chloranyl-2-nitro-phenyl)carbonyl-N-cyclohexyl-N-methyl-piperazine-1-sulfonamide

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)carbonyl-N-cyclohexyl-N-methyl-piperazine-1-sulfonamide Openeye Name: 4-(4-chloro-2-nitro-benzoyl)-N-cyclohexyl-N-methyl-piperazine-1-sulfonamide CAS Name: 4-[(4-chloro-2-nitrophenyl)-oxomethyl]-N-cyclohexyl-N-methyl-1-piperazinesulfonamide IUPAC Name: 4-(4-chloro-2-nitrobenzoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide Traditional Name: 4-(4-chloro-2-nitro-benzoyl)-N-cyclohexyl-N-methyl-piperazine-1-sulfonamide Formula: C18H25ClN4O5S MolecularWeight: 444.9329

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H25ClN4O5S/c1-20(15-5-3-2-4-6-15)29(27,28)22-11-9-21(10-12-22)18(24)16-8-7-14(19)13-17(16)23(25)26/h7-8,13,15H,2-6,9-12H2,1H3