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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-bromophenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-bromophenyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-(4-bromophenyl)acetamide Formula: C18H28BrN4O3S+ MolecularWeight: 460.40892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H27BrN4O3S/c19-16-5-7-17(8-6-16)20-18(24)15-21-11-13-23(14-12-21)27(25,26)22-9-3-1-2-4-10-22/h5-8H,1-4,9-15H2,(H,20,24)/p+1