6-(ethylsulfonylamino)-2-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid

Systemtic Name: 6-(ethylsulfonylamino)-2-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid Openeye Name: 6-(ethylsulfonylamino)-2-[4-[2-(isopropylamino)-2-oxo-ethyl]piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-(ethylsulfonylamino)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-(ethylsulfonylamino)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 6-(esylamino)-2-[4-[2-(isopropylamino)-2-keto-ethyl]piperazino]cinchoninic acid Formula: C21H29N5O5S MolecularWeight: 463.55046

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC2=C(C=C1)N=C(C=C2C(=O)O)N3CCN(CC3)CC(=O)NC(C)C

Isomeric SMILES

CCS(=O)(=O)NC1=CC2=C(C=C1)N=C(C=C2C(=O)O)N3CCN(CC3)CC(=O)NC(C)C

InChI

InChI=1S/C21H29N5O5S/c1-4-32(30,31)24-15-5-6-18-16(11-15)17(21(28)29)12-19(23-18)26-9-7-25(8-10-26)13-20(27)22-14(2)3/h5-6,11-12,14,24H,4,7-10,13H2,1-3H3,(H,22,27)(H,28,29)