2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(4-methylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(4-methylsulfonylphenyl)ethanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(4-methylsulfonylphenyl)acetamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-(4-methylsulfonylphenyl)acetamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-methylsulfonylphenyl)acetamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-N-(4-mesylphenyl)acetamide Formula: C21H32N4O4S MolecularWeight: 436.56818

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C21H32N4O4S/c1-30(28,29)19-8-6-18(7-9-19)22-20(26)16-23-12-14-24(15-13-23)17-21(27)25-10-4-2-3-5-11-25/h6-9H,2-5,10-17H2,1H3,(H,22,26)