(2S)-N-(3-bromophenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3-bromophenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(3-bromophenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-bromophenyl)-2-[4-(2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-bromophenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-bromophenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C19H22BrClN3O3S+ MolecularWeight: 487.81828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)Br)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H21BrClN3O3S/c1-14(19(25)22-16-6-4-5-15(20)13-16)23-9-11-24(12-10-23)28(26,27)18-8-3-2-7-17(18)21/h2-8,13-14H,9-12H2,1H3,(H,22,25)/p+1/t14-/m0/s1