4-chloranyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-[2-(1-phenyl-4-pyrazolyl)ethyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-pyrrolidinosulfonyl-benzamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H23ClN4O3S/c23-20-9-8-18(14-21(20)31(29,30)26-12-4-5-13-26)22(28)24-11-10-17-15-25-27(16-17)19-6-2-1-3-7-19/h1-3,6-9,14-16H,4-5,10-13H2,(H,24,28)