methyl 4-[[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]amino]benzoate

Systemtic Name: methyl 4-[[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]amino]benzoate Openeye Name: methyl 4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]amino]benzoate CAS Name: 4-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]amino]benzoate Traditional Name: 4-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]amino]benzoic acid methyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H22N4O4S/c1-21-9-11-22(12-10-21)27(24,25)16-7-8-17(19-13-16)20-15-5-3-14(4-6-15)18(23)26-2/h3-8,13H,9-12H2,1-2H3,(H,19,20)