4-(4-methylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide Openeye Name: N-[(1-phenylpyrazol-4-yl)methyl]-4-(p-tolylsulfonyl)piperazine-1-carboxamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-[(1-phenyl-4-pyrazolyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide Traditional Name: N-[(1-phenylpyrazol-4-yl)methyl]-4-tosyl-piperazine-1-carboxamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3S/c1-18-7-9-21(10-8-18)31(29,30)26-13-11-25(12-14-26)22(28)23-15-19-16-24-27(17-19)20-5-3-2-4-6-20/h2-10,16-17H,11-15H2,1H3,(H,23,28)