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

Systemtic Name: 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 CAS Name: N-[2-(1-anilinoethenyl)-3-(2-methoxyethyl)-1,3-benzoxazol-3-ium-5-yl]-1-hexanesulfonamide IUPAC Name: N-[2-(1-anilinoethenyl)-3-(2-methoxyethyl)-1,3-benzoxazol-3-ium-5-yl]hexane-1-sulfonamide Traditional Name: N-[2-(1-anilinovinyl)-3-(2-methoxyethyl)-1,3-benzoxazol-3-ium-5-yl]hexane-1-sulfonamide Formula: C24H32N3O4S+ MolecularWeight: 458.59358

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N3O4S/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/h7-9,11-14,18,25-26H,2,4-6,10,15-17H2,1,3H3/q+1