5-(butylcarbamoyl)-2-[4-[4-(ethylaminomethyl)phenyl]carbonylphenyl]carbonyloxy-benzenesulfonic acid

Systemtic Name: 5-(butylcarbamoyl)-2-[4-[4-(ethylaminomethyl)phenyl]carbonylphenyl]carbonyloxy-benzenesulfonic acid Openeye Name: 5-(butylcarbamoyl)-2-[4-[4-(ethylaminomethyl)benzoyl]benzoyl]oxy-benzenesulfonic acid CAS Name: 5-[butylamino(oxo)methyl]-2-[[4-[[4-(ethylaminomethyl)phenyl]-oxomethyl]phenyl]-oxomethoxy]benzenesulfonic acid IUPAC Name: 5-(butylcarbamoyl)-2-[4-[4-(ethylaminomethyl)benzoyl]benzoyl]oxybenzenesulfonic acid Traditional Name: 5-(butylcarbamoyl)-2-[4-[4-(ethylaminomethyl)benzoyl]benzoyl]oxy-besylic acid Formula: C28H30N2O7S MolecularWeight: 538.612

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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=C3)CNCC)S(=O)(=O)O

Isomeric SMILES

CCCCNC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)CNCC)S(=O)(=O)O

InChI

InChI=1S/C28H30N2O7S/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/h6-15,17,29H,3-5,16,18H2,1-2H3,(H,30,32)(H,34,35,36)