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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide Openeye Name: 3-[allyl(phenyl)sulfamoyl]-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide Traditional Name: 3-[allyl(phenyl)sulfamoyl]-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C30H36N3O4S+ MolecularWeight: 534.68954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC=C)C3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N(CC=C)C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C30H35N3O4S/c1-3-19-33(26-12-6-4-7-13-26)38(35,36)28-14-10-11-25(22-28)30(34)31-23-29(32-20-8-5-9-21-32)24-15-17-27(37-2)18-16-24/h3-4,6-7,10-18,22,29H,1,5,8-9,19-21,23H2,2H3,(H,31,34)/p+1/t29-/m0/s1