(2S)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide Openeye Name: (2S)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide CAS Name: (2S)-2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]-N-(3-sulfamoylphenyl)propanamide IUPAC Name: (2S)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propanamide Traditional Name: (2S)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(3-sulfamoylphenyl)propionamide Formula: C19H24N5O5S+ MolecularWeight: 434.48936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O5S/c1-14(19(25)21-15-5-4-6-16(13-15)30(20,28)29)22-9-11-23(12-10-22)17-7-2-3-8-18(17)24(26)27/h2-8,13-14H,9-12H2,1H3,(H,21,25)(H2,20,28,29)/p+1/t14-/m0/s1