2-bromanyl-5-(cyclopropylsulfamoyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide

Systemtic Name: 2-bromanyl-5-(cyclopropylsulfamoyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide CAS Name: 2-bromo-5-(cyclopropylsulfamoyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-bromo-5-(cyclopropylsulfamoyl)benzamide Formula: C22H27BrN3O3S+ MolecularWeight: 493.43708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26BrN3O3S/c23-21-9-8-19(30(28,29)25-18-6-7-18)14-20(21)22(27)24-17-10-12-26(13-11-17)15-16-4-2-1-3-5-16/h1-5,8-9,14,17-18,25H,6-7,10-13,15H2,(H,24,27)/p+1