methyl 4-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzoate

Systemtic Name: methyl 4-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzoate Openeye Name: methyl 4-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzoate CAS Name: 4-[4-(2,4-dichlorophenyl)sulfonyl-1-piperazinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzoate Traditional Name: 4-[4-(2,4-dichlorophenyl)sulfonylpiperazino]-3-nitro-benzoic acid methyl ester Formula: C18H17Cl2N3O6S MolecularWeight: 474.31508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17Cl2N3O6S/c1-29-18(24)12-2-4-15(16(10-12)23(25)26)21-6-8-22(9-7-21)30(27,28)17-5-3-13(19)11-14(17)20/h2-5,10-11H,6-9H2,1H3