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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(4-methylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(4-methylsulfonylphenyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-(4-methylsulfonylphenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(4-methylsulfonylphenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-(4-mesylphenyl)acetamide Formula: C19H30N4O5S2 MolecularWeight: 458.5953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O5S2/c1-29(25,26)18-8-6-17(7-9-18)20-19(24)16-21-12-14-23(15-13-21)30(27,28)22-10-4-2-3-5-11-22/h6-9H,2-5,10-16H2,1H3,(H,20,24)