2-bromanylbenzenesulfonate; N-[3-(2-methoxyethyl)-2-(1-phenylazanylethenyl)-1,3-benzoxazol-3-ium-5-yl]hexane-1-sulfonamide

Systemtic Name: 2-bromanylbenzenesulfonate; N-[3-(2-methoxyethyl)-2-(1-phenylazanylethenyl)-1,3-benzoxazol-3-ium-5-yl]hexane-1-sulfonamide Openeye Name: N-[2-(1-anilinovinyl)-3-(2-methoxyethyl)-1,3-benzoxazol-3-ium-5-yl]hexane-1-sulfonamide; 2-bromobenzenesulfonate CAS Name: N-[2-(1-anilinoethenyl)-3-(2-methoxyethyl)-1,3-benzoxazol-3-ium-5-yl]-1-hexanesulfonamide; 2-bromobenzenesulfonate IUPAC Name: N-[2-(1-anilinoethenyl)-3-(2-methoxyethyl)-1,3-benzoxazol-3-ium-5-yl]hexane-1-sulfonamide; 2-bromobenzenesulfonate Traditional Name: N-[2-(1-anilinovinyl)-3-(2-methoxyethyl)-1,3-benzoxazol-3-ium-5-yl]hexane-1-sulfonamide; 2-bromobesylate Formula: C30H36BrN3O7S2 MolecularWeight: 694.65674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)NC1=CC2=C(C=C1)OC(=[N+]2CCOC)C(=C)NC3=CC=CC=C3.C1=CC=C(C(=C1)S(=O)(=O)[O-])Br

Isomeric SMILES

CCCCCCS(=O)(=O)NC1=CC2=C(C=C1)OC(=[N+]2CCOC)C(=C)NC3=CC=CC=C3.C1=CC=C(C(=C1)S(=O)(=O)[O-])Br

InChI

InChI=1S/C24H32N3O4S.C6H5BrO3S/c1-4-5-6-10-17-32(28,29)26-21-13-14-23-22(18-21)27(15-16-30-3)24(31-23)19(2)25-20-11-8-7-9-12-20;7-5-3-1-2-4-6(5)11(8,9)10/h7-9,11-14,18,25-26H,2,4-6,10,15-17H2,1,3H3;1-4H,(H,8,9,10)/q+1;/p-1