(2R)-N-(4-bromophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(4-bromophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-bromophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-bromophenyl)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-bromophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-bromophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C19H22BrN4O5S+ MolecularWeight: 498.37078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN4O5S/c1-14(19(25)21-16-8-6-15(20)7-9-16)22-10-12-23(13-11-22)30(28,29)18-5-3-2-4-17(18)24(26)27/h2-9,14H,10-13H2,1H3,(H,21,25)/p+1/t14-/m1/s1