1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(4-sulfamoylphenyl)urea

Systemtic Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(4-sulfamoylphenyl)urea Openeye Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(4-sulfamoylphenyl)urea CAS Name: 1-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-(4-sulfamoylphenyl)urea IUPAC Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-(4-sulfamoylphenyl)urea Traditional Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(4-sulfamoylphenyl)urea Formula: C21H29N4O4S+ MolecularWeight: 433.54436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[NH+]3CCCCC3

InChI

InChI=1S/C21H28N4O4S/c1-29-18-9-5-16(6-10-18)20(25-13-3-2-4-14-25)15-23-21(26)24-17-7-11-19(12-8-17)30(22,27)28/h5-12,20H,2-4,13-15H2,1H3,(H2,22,27,28)(H2,23,24,26)/p+1/t20-/m0/s1