N-(3-phenylsulfanylpropyl)-4-(pyridin-1-ium-4-ylsulfamoyl)benzamide

Systemtic Name: N-(3-phenylsulfanylpropyl)-4-(pyridin-1-ium-4-ylsulfamoyl)benzamide Openeye Name: N-(3-phenylsulfanylpropyl)-4-(pyridin-1-ium-4-ylsulfamoyl)benzamide CAS Name: N-[3-(phenylthio)propyl]-4-(4-pyridin-1-iumylsulfamoyl)benzamide IUPAC Name: N-(3-phenylsulfanylpropyl)-4-(pyridin-1-ium-4-ylsulfamoyl)benzamide Traditional Name: N-[3-(phenylthio)propyl]-4-(pyridin-1-ium-4-ylsulfamoyl)benzamide Formula: C21H22N3O3S2+ MolecularWeight: 428.54768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=[NH+]C=C3

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=[NH+]C=C3

InChI

InChI=1S/C21H21N3O3S2/c25-21(23-13-4-16-28-19-5-2-1-3-6-19)17-7-9-20(10-8-17)29(26,27)24-18-11-14-22-15-12-18/h1-3,5-12,14-15H,4,13,16H2,(H,22,24)(H,23,25)/p+1