bis[(4-aminophenyl)carbonylamino]-[phenyl-(3-sulfophenyl)carbamoyl]-sulfo-azanium

Systemtic Name: bis[(4-aminophenyl)carbonylamino]-[phenyl-(3-sulfophenyl)carbamoyl]-sulfo-azanium Openeye Name: bis[(4-aminobenzoyl)amino]-[phenyl-(3-sulfophenyl)carbamoyl]-sulfo-ammonium CAS Name: bis[[(4-aminophenyl)-oxomethyl]amino]-[oxo-(N-(3-sulfophenyl)anilino)methyl]-sulfoammonium IUPAC Name: bis[(4-aminobenzoyl)amino]-[phenyl-(3-sulfophenyl)carbamoyl]-sulfoazanium Traditional Name: bis[(4-aminobenzoyl)amino]-[phenyl-(3-sulfophenyl)carbamoyl]-sulfo-ammonium Formula: C27H25N6O9S2+ MolecularWeight: 641.6522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC(=CC=C2)S(=O)(=O)O)C(=O)[N+](NC(=O)C3=CC=C(C=C3)N)(NC(=O)C4=CC=C(C=C4)N)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC(=CC=C2)S(=O)(=O)O)C(=O)[N+](NC(=O)C3=CC=C(C=C3)N)(NC(=O)C4=CC=C(C=C4)N)S(=O)(=O)O

InChI

InChI=1S/C27H24N6O9S2/c28-20-13-9-18(10-14-20)25(34)30-33(44(40,41)42,31-26(35)19-11-15-21(29)16-12-19)27(36)32(22-5-2-1-3-6-22)23-7-4-8-24(17-23)43(37,38)39/h1-17H,(H7-,28,29,30,31,34,35,37,38,39,40,41,42)/p+1