5-bromanyl-N-[3-(4-phenylbutylsulfanyl)-4-pyrazin-2-yl-1H-pyrazol-5-yl]thiophene-2-sulfonamide

Systemtic Name: 5-bromanyl-N-[3-(4-phenylbutylsulfanyl)-4-pyrazin-2-yl-1H-pyrazol-5-yl]thiophene-2-sulfonamide Openeye Name: 5-bromo-N-[3-(4-phenylbutylsulfanyl)-4-pyrazin-2-yl-1H-pyrazol-5-yl]thiophene-2-sulfonamide CAS Name: 5-bromo-N-[3-(4-phenylbutylthio)-4-(2-pyrazinyl)-1H-pyrazol-5-yl]-2-thiophenesulfonamide IUPAC Name: 5-bromo-N-[3-(4-phenylbutylsulfanyl)-4-pyrazin-2-yl-1H-pyrazol-5-yl]thiophene-2-sulfonamide Traditional Name: 5-bromo-N-[3-(4-phenylbutylthio)-4-pyrazin-2-yl-1H-pyrazol-5-yl]thiophene-2-sulfonamide Formula: C21H20BrN5O2S3 MolecularWeight: 550.5148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCSC2=NNC(=C2C3=NC=CN=C3)NS(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCCCSC2=NNC(=C2C3=NC=CN=C3)NS(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C21H20BrN5O2S3/c22-17-9-10-18(31-17)32(28,29)27-20-19(16-14-23-11-12-24-16)21(26-25-20)30-13-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-12,14H,4-5,8,13H2,(H2,25,26,27)