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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(m-tolyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(m-tolyl)acetamide Formula: C19H31N4O3S+ MolecularWeight: 395.53944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

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