ethyl 3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(2-naphthylsulfonyl)piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-5-nitrobenzoate Traditional Name: 3-[4-(2-naphthylsulfonyl)piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C24H23N3O7S MolecularWeight: 497.52032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O7S/c1-2-34-24(29)20-13-19(14-21(15-20)27(30)31)23(28)25-9-11-26(12-10-25)35(32,33)22-8-7-17-5-3-4-6-18(17)16-22/h3-8,13-16H,2,9-12H2,1H3