methyl 3-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-benzoate Openeye Name: methyl 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-(4-besylpiperazine-1-carbonyl)-5-nitro-benzoic acid methyl ester Formula: C19H19N3O7S MolecularWeight: 433.43506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O7S/c1-29-19(24)15-11-14(12-16(13-15)22(25)26)18(23)20-7-9-21(10-8-20)30(27,28)17-5-3-2-4-6-17/h2-6,11-13H,7-10H2,1H3