[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-tert-butyl-3,5-dimethyl-pyrazol-4-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-tert-butyl-3,5-dimethyl-pyrazol-4-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-tert-butyl-3,5-dimethyl-pyrazol-4-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(1-tert-butyl-3,5-dimethyl-4-pyrazolyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(1-tert-butyl-3,5-dimethyl-pyrazol-4-yl)methanone Formula: C20H35N5O3S MolecularWeight: 425.5886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35N5O3S/c1-16-18(17(2)25(21-16)20(3,4)5)19(26)22-12-14-24(15-13-22)29(27,28)23-10-8-6-7-9-11-23/h6-15H2,1-5H3