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

Systemtic Name: N-[3-ethyl-2-[(E)-2-phenylazanylethenyl]-1,3-benzoxazol-3-ium-5-yl]hexane-1-sulfonamide Openeye Name: N-[2-[(E)-2-anilinovinyl]-3-ethyl-1,3-benzoxazol-3-ium-5-yl]hexane-1-sulfonamide CAS Name: N-[2-[(E)-2-anilinoethenyl]-3-ethyl-1,3-benzoxazol-3-ium-5-yl]-1-hexanesulfonamide IUPAC Name: N-[2-[(E)-2-anilinoethenyl]-3-ethyl-1,3-benzoxazol-3-ium-5-yl]hexane-1-sulfonamide Traditional Name: N-[2-[(E)-2-anilinovinyl]-3-ethyl-1,3-benzoxazol-3-ium-5-yl]hexane-1-sulfonamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)NC1=CC2=C(C=C1)OC(=[N+]2CC)C=CNC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-3-5-6-10-17-30(27,28)25-20-13-14-22-21(18-20)26(4-2)23(29-22)15-16-24-19-11-8-7-9-12-19/h7-9,11-16,18,25H,3-6,10,17H2,1-2H3/p+1