4-(2,4-dimethylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide Openeye Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide CAS Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[(1-phenyl-4-pyrazolyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide Traditional Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O3S/c1-18-8-9-22(19(2)14-18)32(30,31)27-12-10-26(11-13-27)23(29)24-15-20-16-25-28(17-20)21-6-4-3-5-7-21/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,24,29)