methyl 3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]sulfamoyl]benzoate

Systemtic Name: methyl 3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]sulfamoyl]benzoate Openeye Name: methyl 3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]sulfamoyl]benzoate CAS Name: 3-[[(2S)-2-(4-phenyl-1-piperazin-1-iumyl)propyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]sulfamoyl]benzoate Traditional Name: 3-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]sulfamoyl]benzoic acid methyl ester Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OC)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OC)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-17(23-11-13-24(14-12-23)19-8-4-3-5-9-19)16-22-29(26,27)20-10-6-7-18(15-20)21(25)28-2/h3-10,15,17,22H,11-14,16H2,1-2H3/p+1/t17-/m0/s1