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

Systemtic Name: methyl 2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-5-nitro-benzoic acid methyl ester Formula: C16H16ClN3O6S2 MolecularWeight: 445.89774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H16ClN3O6S2/c1-26-16(21)12-10-11(20(22)23)2-3-13(12)18-6-8-19(9-7-18)28(24,25)15-5-4-14(17)27-15/h2-5,10H,6-9H2,1H3