N-methyl-N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]azepane-1-sulfonamide

Systemtic Name: N-methyl-N-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]azepane-1-sulfonamide Openeye Name: N-methyl-N-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]azepane-1-sulfonamide CAS Name: N-methyl-N-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-1-azepanesulfonamide IUPAC Name: N-methyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]azepane-1-sulfonamide Traditional Name: N-methyl-N-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]azepane-1-sulfonamide Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H26N4O2S2/c1-23(29(26,27)24-13-7-2-3-8-14-24)16-18-17-25(19-10-5-4-6-11-19)22-21(18)20-12-9-15-28-20/h4-6,9-12,15,17H,2-3,7-8,13-14,16H2,1H3