2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-[3-(methylthio)phenyl]acetamide Formula: C19H30N4O3S2 MolecularWeight: 426.5965

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H30N4O3S2/c1-27-18-8-6-7-17(15-18)20-19(24)16-21-11-13-23(14-12-21)28(25,26)22-9-4-2-3-5-10-22/h6-8,15H,2-5,9-14,16H2,1H3,(H,20,24)