sodium 4-[2-(ethylcarbamoyl)indol-1-yl]benzenesulfonate

Systemtic Name: sodium 4-[2-(ethylcarbamoyl)indol-1-yl]benzenesulfonate Openeye Name: sodium 4-[2-(ethylcarbamoyl)indol-1-yl]benzenesulfonate CAS Name: sodium 4-[2-(ethylcarbamoyl)-1-indolyl]benzenesulfonate IUPAC Name: sodium 4-[2-(ethylcarbamoyl)indol-1-yl]benzenesulfonate Traditional Name: sodium 4-[2-(ethylcarbamoyl)indol-1-yl]besylate Formula: C17H15N2NaO4S MolecularWeight: 366.36677

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC2=CC=CC=C2N1C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCNC(=O)C1=CC2=CC=CC=C2N1C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H16N2O4S.Na/c1-2-18-17(20)16-11-12-5-3-4-6-15(12)19(16)13-7-9-14(10-8-13)24(21,22)23;/h3-11H,2H2,1H3,(H,18,20)(H,21,22,23);/q;+1/p-1