2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H28BrN3O3S/c1-15-5-2-3-8-18(15)21-19(24)14-22-9-11-23(12-10-22)27(25,26)17-7-4-6-16(20)13-17/h4,6-7,13,15,18H,2-3,5,8-12,14H2,1H3,(H,21,24)/p+1/t15-,18+/m0/s1