disodium 5-(butylcarbamoyl)-2-[4-[4-(ethylaminomethyl)benzene-6-id-1-yl]carbonylphenyl]carbonyloxy-benzenesulfonate

Systemtic Name: disodium 5-(butylcarbamoyl)-2-[4-[4-(ethylaminomethyl)benzene-6-id-1-yl]carbonylphenyl]carbonyloxy-benzenesulfonate Openeye Name: disodium 5-(butylcarbamoyl)-2-[4-[4-(ethylaminomethyl)benzene-6-ide-1-carbonyl]benzoyl]oxy-benzenesulfonate CAS Name: disodium 5-[butylamino(oxo)methyl]-2-[[4-[[4-(ethylaminomethyl)-1-benzene-6-idyl]-oxomethyl]phenyl]-oxomethoxy]benzenesulfonate IUPAC Name: disodium 5-(butylcarbamoyl)-2-[4-[4-(ethylaminomethyl)benzene-6-ide-1-carbonyl]benzoyl]oxybenzenesulfonate Traditional Name: disodium 5-(butylcarbamoyl)-2-[4-[4-(ethylaminomethyl)benzene-6-ide-1-carbonyl]benzoyl]oxy-besylate Formula: C28H28N2Na2O7S MolecularWeight: 582.57566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=C(C=[C-]3)CNCC)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCNC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=C(C=[C-]3)CNCC)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C28H29N2O7S.2Na/c1-3-5-16-30-27(32)23-14-15-24(25(17-23)38(34,35)36)37-28(33)22-12-10-21(11-13-22)26(31)20-8-6-19(7-9-20)18-29-4-2;;/h6-8,10-15,17,29H,3-5,16,18H2,1-2H3,(H,30,32)(H,34,35,36);;/q-1;2*+1/p-1