2-[(3-bromophenyl)carbamoylamino]-4-chloranyl-benzenesulfonic acid

Systemtic Name: 2-[(3-bromophenyl)carbamoylamino]-4-chloranyl-benzenesulfonic acid Openeye Name: 2-[(3-bromophenyl)carbamoylamino]-4-chloro-benzenesulfonic acid CAS Name: 2-[[(3-bromoanilino)-oxomethyl]amino]-4-chlorobenzenesulfonic acid IUPAC Name: 2-[(3-bromophenyl)carbamoylamino]-4-chlorobenzenesulfonic acid Traditional Name: 2-[(3-bromophenyl)carbamoylamino]-4-chloro-besylic acid Formula: C13H10BrClN2O4S MolecularWeight: 405.6515

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=O)NC2=C(C=CC(=C2)Cl)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)NC2=C(C=CC(=C2)Cl)S(=O)(=O)O

InChI

InChI=1S/C13H10BrClN2O4S/c14-8-2-1-3-10(6-8)16-13(18)17-11-7-9(15)4-5-12(11)22(19,20)21/h1-7H,(H2,16,17,18)(H,19,20,21)