[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(4-chloranyl-2-nitro-phenyl)methanone

Systemtic Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(4-chloranyl-2-nitro-phenyl)methanone Openeye Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(4-chloro-2-nitro-phenyl)methanone CAS Name: [4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-(4-chloro-2-nitrophenyl)methanone IUPAC Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(4-chloro-2-nitrophenyl)methanone Traditional Name: [4-(4-tert-butylphenyl)sulfonylpiperazino]-(4-chloro-2-nitro-phenyl)methanone Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O5S/c1-21(2,3)15-4-7-17(8-5-15)31(29,30)24-12-10-23(11-13-24)20(26)18-9-6-16(22)14-19(18)25(27)28/h4-9,14H,10-13H2,1-3H3