bis[4-[(4-aminophenyl)carbonylamino]phenyl]carbamoyl-sulfo-sulfamic acid

Systemtic Name: bis[4-[(4-aminophenyl)carbonylamino]phenyl]carbamoyl-sulfo-sulfamic acid Openeye Name: bis[4-[(4-aminobenzoyl)amino]phenyl]carbamoyl-sulfo-sulfamic acid CAS Name: [[4-[[(4-aminophenyl)-oxomethyl]amino]-N-[4-[[(4-aminophenyl)-oxomethyl]amino]phenyl]anilino]-oxomethyl]-sulfosulfamic acid IUPAC Name: bis[4-[(4-aminobenzoyl)amino]phenyl]carbamoyl-sulfosulfamic acid Traditional Name: bis[4-[(4-aminobenzoyl)amino]phenyl]carbamoyl-sulfo-sulfamic acid Formula: C27H24N6O9S2 MolecularWeight: 640.64426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N(C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)N)C(=O)N(S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N(C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)N)C(=O)N(S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C27H24N6O9S2/c28-19-5-1-17(2-6-19)25(34)30-21-9-13-23(14-10-21)32(27(36)33(43(37,38)39)44(40,41)42)24-15-11-22(12-16-24)31-26(35)18-3-7-20(29)8-4-18/h1-16H,28-29H2,(H,30,34)(H,31,35)(H,37,38,39)(H,40,41,42)