1-(azepan-1-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-(4-p-cumenylsulfonylpiperazino)ethanone Formula: C21H33N3O3S MolecularWeight: 407.57002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c1-18(2)19-7-9-20(10-8-19)28(26,27)24-15-13-22(14-16-24)17-21(25)23-11-5-3-4-6-12-23/h7-10,18H,3-6,11-17H2,1-2H3