1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanone

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2-isopropyl-5-methyl-phenoxy)ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-2-(2-isopropyl-5-methyl-phenoxy)ethanone Formula: C22H35N3O4S MolecularWeight: 437.596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H35N3O4S/c1-18(2)20-9-8-19(3)16-21(20)29-17-22(26)23-12-14-25(15-13-23)30(27,28)24-10-6-4-5-7-11-24/h8-9,16,18H,4-7,10-15,17H2,1-3H3