5-(ethylcarbamoyl)-2-[[4-(ethylcarbamoyl)-2-sulfo-phenyl]methyl]benzenesulfonic acid

Systemtic Name: 5-(ethylcarbamoyl)-2-[[4-(ethylcarbamoyl)-2-sulfo-phenyl]methyl]benzenesulfonic acid Openeye Name: 5-(ethylcarbamoyl)-2-[[4-(ethylcarbamoyl)-2-sulfo-phenyl]methyl]benzenesulfonic acid CAS Name: 5-(ethylcarbamoyl)-2-[[4-(ethylcarbamoyl)-2-sulfophenyl]methyl]benzenesulfonic acid IUPAC Name: 5-(ethylcarbamoyl)-2-[[4-(ethylcarbamoyl)-2-sulfophenyl]methyl]benzenesulfonic acid Traditional Name: 5-(ethylcarbamoyl)-2-[4-(ethylcarbamoyl)-2-sulfo-benzyl]besylic acid Formula: C19H22N2O8S2 MolecularWeight: 470.51658

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=C(C=C1)CC2=C(C=C(C=C2)C(=O)NCC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCNC(=O)C1=CC(=C(C=C1)CC2=C(C=C(C=C2)C(=O)NCC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C19H22N2O8S2/c1-3-20-18(22)14-7-5-12(16(10-14)30(24,25)26)9-13-6-8-15(19(23)21-4-2)11-17(13)31(27,28)29/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,22)(H,21,23)(H,24,25,26)(H,27,28,29)