N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide Openeye Name: 3-[allyl(phenyl)sulfamoyl]-N-(1-benzylpiperidin-1-ium-4-yl)benzamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide Traditional Name: 3-[allyl(phenyl)sulfamoyl]-N-(1-benzylpiperidin-1-ium-4-yl)benzamide Formula: C28H32N3O3S+ MolecularWeight: 490.63698

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O3S/c1-2-18-31(26-13-7-4-8-14-26)35(33,34)27-15-9-12-24(21-27)28(32)29-25-16-19-30(20-17-25)22-23-10-5-3-6-11-23/h2-15,21,25H,1,16-20,22H2,(H,29,32)/p+1