[3-(aminocarbonylamino)-2-(4-chlorophenyl)carbonyl-1-benzofuran-6-yl] 4-acetamidobenzenesulfonate

Systemtic Name: [3-(aminocarbonylamino)-2-(4-chlorophenyl)carbonyl-1-benzofuran-6-yl] 4-acetamidobenzenesulfonate Openeye Name: [2-(4-chlorobenzoyl)-3-ureido-benzofuran-6-yl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [3-(carbamoylamino)-2-[(4-chlorophenyl)-oxomethyl]-6-benzofuranyl] ester IUPAC Name: [3-(carbamoylamino)-2-(4-chlorobenzoyl)-1-benzofuran-6-yl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-(4-chlorobenzoyl)-3-ureido-benzofuran-6-yl] ester Formula: C24H18ClN3O7S MolecularWeight: 527.93362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=C(O3)C(=O)C4=CC=C(C=C4)Cl)NC(=O)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=C(O3)C(=O)C4=CC=C(C=C4)Cl)NC(=O)N

InChI

InChI=1S/C24H18ClN3O7S/c1-13(29)27-16-6-9-18(10-7-16)36(32,33)35-17-8-11-19-20(12-17)34-23(21(19)28-24(26)31)22(30)14-2-4-15(25)5-3-14/h2-12H,1H3,(H,27,29)(H3,26,28,31)