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

Systemtic Name: N-(3-bromophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-bromophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(3-bromophenyl)-2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-bromophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-bromophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H25BrN3O3S+ MolecularWeight: 467.3998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C20H24BrN3O3S/c1-15-6-7-19(12-16(15)2)28(26,27)24-10-8-23(9-11-24)14-20(25)22-18-5-3-4-17(21)13-18/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)/p+1