methyl 5-nitro-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]benzoate

Systemtic Name: methyl 5-nitro-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]benzoate Openeye Name: methyl 2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-5-nitro-benzoate CAS Name: 5-nitro-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]benzoate Traditional Name: 5-nitro-2-(4-p-cumenylsulfonylpiperazino)benzoic acid methyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-15(2)16-4-7-18(8-5-16)31(28,29)23-12-10-22(11-13-23)20-9-6-17(24(26)27)14-19(20)21(25)30-3/h4-9,14-15H,10-13H2,1-3H3