1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone

Systemtic Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone Openeye Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-[3-(2-thienyl)pyrazol-1-yl]ethanone CAS Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-(3-thiophen-2-yl-1-pyrazolyl)ethanone IUPAC Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone Traditional Name: 1-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-2-[3-(2-thienyl)pyrazol-1-yl]ethanone Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CN3C=CC(=N3)C4=CC=CS4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CN3C=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C22H26N4O3S2/c1-31(28,29)19-7-5-18(6-8-19)16-24-10-3-11-25(14-13-24)22(27)17-26-12-9-20(23-26)21-4-2-15-30-21/h2,4-9,12,15H,3,10-11,13-14,16-17H2,1H3