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

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(m-tolylsulfamoyl)benzamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(m-tolylsulfamoyl)benzamide Formula: C25H30N3O4S+ MolecularWeight: 468.5884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4S/c1-19-8-5-10-21(16-19)27-33(30,31)22-11-6-9-20(17-22)25(29)26-18-23(24-12-7-15-32-24)28-13-3-2-4-14-28/h5-12,15-17,23,27H,2-4,13-14,18H2,1H3,(H,26,29)/p+1/t23-/m0/s1