2-azanyl-5-(bromomethyloxy)-4-chloranyl-3-[1-(4-methylphenyl)propylsulfonyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-(bromomethyloxy)-4-chloranyl-3-[1-(4-methylphenyl)propylsulfonyl]benzenesulfonic acid Openeye Name: 2-amino-5-(bromomethoxy)-4-chloro-3-[1-(p-tolyl)propylsulfonyl]benzenesulfonic acid CAS Name: 2-amino-5-(bromomethoxy)-4-chloro-3-[1-(4-methylphenyl)propylsulfonyl]benzenesulfonic acid IUPAC Name: 2-amino-5-(bromomethoxy)-4-chloro-3-[1-(4-methylphenyl)propylsulfonyl]benzenesulfonic acid Traditional Name: 2-amino-5-(bromomethoxy)-4-chloro-3-[1-(p-tolyl)propylsulfonyl]besylic acid Formula: C17H19BrClNO6S2 MolecularWeight: 512.82286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)S(=O)(=O)C2=C(C(=CC(=C2N)S(=O)(=O)O)OCBr)Cl

Isomeric SMILES

CCC(C1=CC=C(C=C1)C)S(=O)(=O)C2=C(C(=CC(=C2N)S(=O)(=O)O)OCBr)Cl

InChI

InChI=1S/C17H19BrClNO6S2/c1-3-13(11-6-4-10(2)5-7-11)27(21,22)17-15(19)12(26-9-18)8-14(16(17)20)28(23,24)25/h4-8,13H,3,9,20H2,1-2H3,(H,23,24,25)