N-[4-(azepan-1-yl)phenyl]-2-(4-methylsulfonylpiperazin-1-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(4-methylsulfonylpiperazin-1-yl)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(4-methylsulfonyl-1-piperazinyl)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(4-mesylpiperazino)acetamide Formula: C19H30N4O3S MolecularWeight: 394.5315

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C19H30N4O3S/c1-27(25,26)23-14-12-21(13-15-23)16-19(24)20-17-6-8-18(9-7-17)22-10-4-2-3-5-11-22/h6-9H,2-5,10-16H2,1H3,(H,20,24)