2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cycloheptyl-ethanamide

Systemtic Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cycloheptyl-ethanamide Openeye Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cycloheptyl-acetamide CAS Name: 2-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-cycloheptylacetamide IUPAC Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cycloheptylacetamide Traditional Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cycloheptyl-acetamide Formula: C19H29BrN3O3S+ MolecularWeight: 459.42086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CCCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H28BrN3O3S/c20-16-6-5-9-18(14-16)27(25,26)23-12-10-22(11-13-23)15-19(24)21-17-7-3-1-2-4-8-17/h5-6,9,14,17H,1-4,7-8,10-13,15H2,(H,21,24)/p+1