6-[5-(azepan-1-ylamino)-4-cyano-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide

Systemtic Name: 6-[5-(azepan-1-ylamino)-4-cyano-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide Openeye Name: 6-[5-(azepan-1-ylamino)-4-cyano-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide CAS Name: 6-[5-(1-azepanylamino)-4-cyano-3-(trifluoromethyl)-1-pyrazolyl]-3-pyridinesulfonamide IUPAC Name: 6-[5-(azepan-1-ylamino)-4-cyano-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide Traditional Name: 6-[5-(azepan-1-ylamino)-4-cyano-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide Formula: C16H18F3N7O2S MolecularWeight: 429.42003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)NC2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C#N

Isomeric SMILES

C1CCCN(CC1)NC2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C#N

InChI

InChI=1S/C16H18F3N7O2S/c17-16(18,19)14-12(9-20)15(24-25-7-3-1-2-4-8-25)26(23-14)13-6-5-11(10-22-13)29(21,27)28/h5-6,10,24H,1-4,7-8H2,(H2,21,27,28)