2-bromanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-bromanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-[3-(pyrazol-1-ylmethyl)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-[3-(1-pyrazolylmethyl)phenyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-[3-(pyrazol-1-ylmethyl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-[3-(pyrazol-1-ylmethyl)phenyl]-5-pyrrolidinosulfonyl-benzamide Formula: C21H21BrN4O3S MolecularWeight: 489.38544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4

InChI

InChI=1S/C21H21BrN4O3S/c22-20-8-7-18(30(28,29)26-11-1-2-12-26)14-19(20)21(27)24-17-6-3-5-16(13-17)15-25-10-4-9-23-25/h3-10,13-14H,1-2,11-12,15H2,(H,24,27)