N-[(1-phenylpyrazol-4-yl)methyl]azepane-1-sulfonamide

Systemtic Name: N-[(1-phenylpyrazol-4-yl)methyl]azepane-1-sulfonamide Openeye Name: N-[(1-phenylpyrazol-4-yl)methyl]azepane-1-sulfonamide CAS Name: N-[(1-phenyl-4-pyrazolyl)methyl]-1-azepanesulfonamide IUPAC Name: N-[(1-phenylpyrazol-4-yl)methyl]azepane-1-sulfonamide Traditional Name: N-[(1-phenylpyrazol-4-yl)methyl]azepane-1-sulfonamide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H22N4O2S/c21-23(22,19-10-6-1-2-7-11-19)18-13-15-12-17-20(14-15)16-8-4-3-5-9-16/h3-5,8-9,12,14,18H,1-2,6-7,10-11,13H2