(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanone Traditional Name: (4-besylpiperazino)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methanone Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN4O3S/c1-16-19(20(22)26(23-16)17-8-4-2-5-9-17)21(27)24-12-14-25(15-13-24)30(28,29)18-10-6-3-7-11-18/h2-11H,12-15H2,1H3