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

Systemtic Name: 4-(2-chlorophenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide Openeye Name: 4-(2-chlorophenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide CAS Name: 4-(2-chlorophenyl)sulfonyl-N-[(1-phenyl-4-pyrazolyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-chlorophenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide Traditional Name: 4-(2-chlorophenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide Formula: C21H22ClN5O3S MolecularWeight: 459.94908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1C(=O)NCC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H22ClN5O3S/c22-19-8-4-5-9-20(19)31(29,30)26-12-10-25(11-13-26)21(28)23-14-17-15-24-27(16-17)18-6-2-1-3-7-18/h1-9,15-16H,10-14H2,(H,23,28)