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

Systemtic Name: methyl 3-[[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-[(4-ethyl-1-piperazinyl)sulfonyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-(4-ethylpiperazino)sulfonylphenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H24N4O7S MolecularWeight: 476.50286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O7S/c1-3-23-7-9-24(10-8-23)33(30,31)19-6-4-5-17(14-19)22-20(26)15-11-16(21(27)32-2)13-18(12-15)25(28)29/h4-6,11-14H,3,7-10H2,1-2H3,(H,22,26)