4-[aminocarbonyl-[3-[aminocarbonyl-(3-azanyl-4-sulfo-phenyl)amino]phenyl]amino]-2-azanyl-benzenesulfonic acid

Systemtic Name: 4-[aminocarbonyl-[3-[aminocarbonyl-(3-azanyl-4-sulfo-phenyl)amino]phenyl]amino]-2-azanyl-benzenesulfonic acid Openeye Name: 2-amino-4-[3-(3-amino-N-carbamoyl-4-sulfo-anilino)-N-carbamoyl-anilino]benzenesulfonic acid CAS Name: 2-amino-4-[3-(3-amino-N-carbamoyl-4-sulfoanilino)-N-carbamoylanilino]benzenesulfonic acid IUPAC Name: 2-amino-4-[3-(3-amino-N-carbamoyl-4-sulfoanilino)-N-carbamoylanilino]benzenesulfonic acid Traditional Name: 2-amino-4-[3-(3-amino-N-carbamoyl-4-sulfo-anilino)-N-carbamoyl-anilino]besylic acid Formula: C20H20N6O8S2 MolecularWeight: 536.5382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N(C2=CC(=C(C=C2)S(=O)(=O)O)N)C(=O)N)N(C3=CC(=C(C=C3)S(=O)(=O)O)N)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)N(C2=CC(=C(C=C2)S(=O)(=O)O)N)C(=O)N)N(C3=CC(=C(C=C3)S(=O)(=O)O)N)C(=O)N

InChI

InChI=1S/C20H20N6O8S2/c21-15-9-13(4-6-17(15)35(29,30)31)25(19(23)27)11-2-1-3-12(8-11)26(20(24)28)14-5-7-18(16(22)10-14)36(32,33)34/h1-10H,21-22H2,(H2,23,27)(H2,24,28)(H,29,30,31)(H,32,33,34)