methyl 3-[[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]sulfamoyl]benzoate

Systemtic Name: methyl 3-[[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]sulfamoyl]benzoate Openeye Name: methyl 3-[[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]sulfamoyl]benzoate CAS Name: 3-[[(2R)-4-(4-phenyl-1-piperazin-1-iumyl)butan-2-yl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]sulfamoyl]benzoate Traditional Name: 3-[[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]sulfamoyl]benzoic acid methyl ester Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

C[C@H](CC[NH+]1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H29N3O4S/c1-18(23-30(27,28)21-10-6-7-19(17-21)22(26)29-2)11-12-24-13-15-25(16-14-24)20-8-4-3-5-9-20/h3-10,17-18,23H,11-16H2,1-2H3/p+1/t18-/m1/s1