[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-tert-butyl-5-propan-2-yl-pyrazol-3-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-tert-butyl-5-propan-2-yl-pyrazol-3-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-tert-butyl-5-isopropyl-pyrazol-3-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(1-tert-butyl-5-propan-2-yl-3-pyrazolyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(1-tert-butyl-5-isopropyl-pyrazol-3-yl)methanone Formula: C21H37N5O3S MolecularWeight: 439.61518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NN1C(C)(C)C)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)C1=CC(=NN1C(C)(C)C)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H37N5O3S/c1-17(2)19-16-18(22-26(19)21(3,4)5)20(27)23-12-14-25(15-13-23)30(28,29)24-10-8-6-7-9-11-24/h16-17H,6-15H2,1-5H3