ethyl 4-[5-[bis(phenylmethyl)sulfamoyl]pyridin-1-ium-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-[bis(phenylmethyl)sulfamoyl]pyridin-1-ium-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-(dibenzylsulfamoyl)pyridin-1-ium-2-yl]piperazine-1-carboxylate CAS Name: 4-[5-[bis(phenylmethyl)sulfamoyl]-2-pyridin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(dibenzylsulfamoyl)pyridin-1-ium-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(dibenzylsulfamoyl)pyridin-1-ium-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C26H31N4O4S+ MolecularWeight: 495.61374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O4S/c1-2-34-26(31)29-17-15-28(16-18-29)25-14-13-24(19-27-25)35(32,33)30(20-22-9-5-3-6-10-22)21-23-11-7-4-8-12-23/h3-14,19H,2,15-18,20-21H2,1H3/p+1