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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-bromanyl-3-methyl-phenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-bromo-3-methyl-phenyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]-N-(4-bromo-3-methylphenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-bromo-3-methylphenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-bromo-3-methyl-phenyl)acetamide Formula: C19H30BrN4O3S+ MolecularWeight: 474.4355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29BrN4O3S/c1-16-14-17(6-7-18(16)20)21-19(25)15-22-10-12-24(13-11-22)28(26,27)23-8-4-2-3-5-9-23/h6-7,14H,2-5,8-13,15H2,1H3,(H,21,25)/p+1