ethyl 3-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-[(4-ethyl-1-piperazinyl)sulfonyl]anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(4-ethylpiperazino)sulfonylphenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H26N4O7S MolecularWeight: 490.52944

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C22H26N4O7S/c1-3-24-9-11-25(12-10-24)34(31,32)20-7-5-18(6-8-20)23-21(27)16-13-17(22(28)33-4-2)15-19(14-16)26(29)30/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,23,27)