4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C26H32N3O4S+ MolecularWeight: 482.61498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCCC4)C

InChI

InChI=1S/C26H31N3O4S/c1-19-8-6-9-23(20(19)2)28-34(31,32)22-13-11-21(12-14-22)26(30)27-18-24(25-10-7-17-33-25)29-15-4-3-5-16-29/h6-14,17,24,28H,3-5,15-16,18H2,1-2H3,(H,27,30)/p+1/t24-/m0/s1