[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C20H21ClN4O6S MolecularWeight: 480.92194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4O6S/c1-14(26)24-7-9-25(10-8-24)32(29,30)17-4-2-3-15(11-17)20(28)31-13-19(27)23-18-6-5-16(21)12-22-18/h2-6,11-12H,7-10,13H2,1H3,(H,22,23,27)