4-[[2-chloranyl-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]carbonylamino]-2-methyl-5-propyl-pyrazole-3-carboxamide

Systemtic Name: 4-[[2-chloranyl-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]carbonylamino]-2-methyl-5-propyl-pyrazole-3-carboxamide Openeye Name: 4-[[2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-benzoyl]amino]-2-methyl-5-propyl-pyrazole-3-carboxamide CAS Name: 4-[[[2-chloro-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]-2-methyl-5-propyl-3-pyrazolecarboxamide IUPAC Name: 4-[[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]-2-methyl-5-propylpyrazole-3-carboxamide Traditional Name: 4-[[2-chloro-5-(4-methylpiperazino)sulfonyl-benzoyl]amino]-2-methyl-5-propyl-pyrazole-3-carboxamide Formula: C20H27ClN6O4S MolecularWeight: 482.98418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C)Cl)C(=O)N)C

Isomeric SMILES

CCCC1=NN(C(=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C)Cl)C(=O)N)C

InChI

InChI=1S/C20H27ClN6O4S/c1-4-5-16-17(18(19(22)28)26(3)24-16)23-20(29)14-12-13(6-7-15(14)21)32(30,31)27-10-8-25(2)9-11-27/h6-7,12H,4-5,8-11H2,1-3H3,(H2,22,28)(H,23,29)