[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [5-chloro-3-methyl-1-(p-tolylmethyl)pyrazol-4-yl]-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: [5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [5-chloro-3-methyl-1-(4-methylbenzyl)pyrazol-4-yl]-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C21H23ClN4O3S2 MolecularWeight: 479.01532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C21H23ClN4O3S2/c1-15-5-7-17(8-6-15)14-26-20(22)19(16(2)23-26)21(27)24-9-11-25(12-10-24)31(28,29)18-4-3-13-30-18/h3-8,13H,9-12,14H2,1-2H3