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

Systemtic Name: methyl 4-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]sulfamoyl]benzoate Openeye Name: methyl 4-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]sulfamoyl]benzoate CAS Name: 4-[[(2S)-2-(4-phenyl-1-piperazin-1-iumyl)propyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propyl]sulfamoyl]benzoate Traditional Name: 4-[[(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=C(C=C1)C(=O)OC)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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