4-(phenylmethyl)sulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperazine-1-carboxamide

Systemtic Name: 4-(phenylmethyl)sulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperazine-1-carboxamide Openeye Name: 4-benzylsulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperazine-1-carboxamide CAS Name: 4-(phenylmethyl)sulfonyl-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]-1-piperazinecarboxamide IUPAC Name: 4-benzylsulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperazine-1-carboxamide Traditional Name: 4-benzylsulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperazine-1-carboxamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCCC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)NCCC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O3S/c29-23(24-13-11-20-7-9-22(10-8-20)28-14-4-12-25-28)26-15-17-27(18-16-26)32(30,31)19-21-5-2-1-3-6-21/h1-10,12,14H,11,13,15-19H2,(H,24,29)