4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide Formula: C21H30N3O5S2+ MolecularWeight: 468.61

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Descriptors Computed from Structure

Canonical SMILES:

COCCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)NCC(C2=CC=CS2)[NH+]3CCCC3)OC

Isomeric SMILES

COCCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCC3)OC

InChI

InChI=1S/C21H29N3O5S2/c1-28-12-9-23-31(26,27)20-14-16(7-8-18(20)29-2)21(25)22-15-17(19-6-5-13-30-19)24-10-3-4-11-24/h5-8,13-14,17,23H,3-4,9-12,15H2,1-2H3,(H,22,25)/p+1/t17-/m0/s1