(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methanone CAS Name: (1-butyl-5-chloro-3-methyl-4-pyrazolyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(1-butyl-5-chloro-3-methylpyrazol-4-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methanone Formula: C20H27ClN4O3S MolecularWeight: 438.97138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H27ClN4O3S/c1-3-4-10-25-19(21)18(16(2)22-25)20(26)23-11-13-24(14-12-23)29(27,28)15-17-8-6-5-7-9-17/h5-9H,3-4,10-15H2,1-2H3