1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-(1,3,5-trimethyl-4-pyrazolyl)ethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone Formula: C18H31N5O3S MolecularWeight: 397.53544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NN1C)C)CC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H31N5O3S/c1-15-17(16(2)20(3)19-15)14-18(24)21-10-12-23(13-11-21)27(25,26)22-8-6-4-5-7-9-22/h4-14H2,1-3H3