N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-2-bromanyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-2-bromanyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-2-bromo-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-2-bromo-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-2-bromo-5-pyrrolidinosulfonyl-benzamide Formula: C18H21BrN6O3S MolecularWeight: 481.36674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NCCCC3=C(C(=NN3)N)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NCCCC3=C(C(=NN3)N)C#N

InChI

InChI=1S/C18H21BrN6O3S/c19-15-6-5-12(29(27,28)25-8-1-2-9-25)10-13(15)18(26)22-7-3-4-16-14(11-20)17(21)24-23-16/h5-6,10H,1-4,7-9H2,(H,22,26)(H3,21,23,24)